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2020

Linden, Anthony; Magirius, J E Florian; Heimgartner, Heinz (2020). Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hy­droxy acid. Acta Crystallographica. Section C: Structural Chemistry, C76:1-9.

Senior, Levi; Linden, Anthony (2020). Coordination polymers incorporating Bi(III) and 2,4,6-pyridine tricarboxylic acid and its derivatives: Synthesis, structure and topology. Polyhedron, 184:114564.

Dudli, Stefan; Ballatori, Alexander; Bay-Jensen, Anne-Christine; McCormick, Zachary L; O'Neill, Conor W; Demir-Deviren, Sibel; Krug, Roland; Heggli, Irina; Juengel, Astrid; Karppinen, Jaro; Brunner, Florian; Farshad, Mazda; Distler, Oliver; Lotz, Jeffrey C; Fields, Aaron J (2020). Serum Biomarkers for Connective Tissue and Basement Membrane Remodeling are Associated with Vertebral Endplate Bone Marrow Lesions as Seen on MRI (Modic Changes). International Journal of Molecular Sciences, 21(11):E3791.

Novotny, Zbynek; Tobler, Benjamin; Artiglia, Luca; Fischer, Martin; Schreck, Matthias; Raabe, Jörg; Osterwalder, Jürg (2020). Kinetics of the Thermal Oxidation of Ir(100) toward IrO2 Studied by Ambient-Pressure X-ray Photoelectron Spectroscopy. Journal of Physical Chemistry Letters, 11(9):3601-3607.

Tohidnezhad, Mersedeh; Kubo, Yusuke; Lichte, Philipp; Heigl, Tobias; Roch, Diana; Barahmand Pour, Nazanin; Bergmann, Christian; Sönmez, Tolga Taha; Hock, Jennifer Vanessa Phi; Fragoulis, Athanassios; Gremse, Felix; Rosenhain, Stefanie; Slowik, Alexander; Bienert, Michaela; Kweider, Nisreen; Wruck, Christoph Jan; Jahr, Holger; Hildebrand, Frank; Pape, Hans Christoph; Neuß, Sabine; Fischer, Horst; Pufe, Thomas (2020). Effects of Strontium-Doped β-Tricalcium Scaffold on Longitudinal Nuclear Factor-Kappa Beta and Vascular Endothelial Growth Factor Receptor-2 Promoter Activities during Healing in a Murine Critical-Size Bone Defect Model. International Journal of Molecular Sciences, 21(9):1-19.

Fay, Rachael; Linden, Anthony; Holland, Jason P (2020). PhotoTag: Photoactivatable Fluorophores for Protein Labeling. Organic Letters, 22(9):3499-3503.

Schilling, Mauro; Cunha, Richard A; Luber, Sandra (2020). Zooming in on the O–O Bond Formation—An Ab Initio Molecular Dynamics Study Applying Enhanced Sampling Techniques. Journal of Chemical Theory and Computation, 16(4):2436-2449.

Gröninger, Olivier; Hess, Samuel; Mohn, Dirk; Schneider, Elia; Stark, Wendelin; Märsmann, Sonja; Wolint, Petra; Calcagni, Maurizio; Cinelli, Paolo; Buschmann, Johanna (2020). Directing Stem Cell Commitment by Amorphous Calcium Phosphate Nanoparticles Incorporated in PLGA: Relevance of the Free Calcium Ion Concentration. International Journal of Molecular Sciences, 21:2627.

Varlow, Cassis; Murrell, Emily; Holland, Jason P; Kassenbrock, Alina; Shannon, Whitney; Liang, Steven H; Vasdev, Neil; Stephenson, Nickeisha A (2020). Revisiting the Radiosynthesis of [18F]FPEB and Preliminary PET Imaging in a Mouse Model of Alzheimer’s Disease. Molecules, 25(4):982.

Holland, Jason P (2020). Predicting the Thermodynamic Stability of Zirconium Radiotracers. Inorganic Chemistry, 59(3):2070-2082.

Mlostoń, Grzegorz; Jasinski, Radomir; Kula, Karolina; Heimgartner, Heinz (2020). A DFT Study on the Barton–Kellogg Reaction – The Molecular Mechanism of the Formation of Thiiranes in the Reaction between Diphenyldiazomethane and Diaryl Thioketones. European Journal of Organic Chemistry, 2020(2):176-182.

Thiel, Cora Sandra; Christoffel, Swantje; Tauber, Svantje; Vahlensieck, Christian; de Zélicourt, Diane; Layer, Liliana E; Lauber, Beatrice; Polzer, Jennifer; Ullrich, Oliver (2020). Rapid cellular perception of gravitational forces in human jurkat T cells and transduction into gene expression regulation. International Journal of Molecular Sciences, 21(2):514.

Evrova, Olivera; Kellenberger, Damian; Calcagni, Maurizio; Vogel, Viola; Buschmann, Johanna (2020). Supporting Cell-Based Tendon Therapy: Effect of PDGF-BB and Ascorbic Acid on Rabbit Achilles Tenocytes in Vitro. International Journal of Molecular Sciences, 21(2):E458.

Clerc, Michèle; Heinemann, Franz; Spingler, Bernhard; Gasser, Gilles (2020). A Luminescent NOTA-Based Terbium(III) “Turn-Off” Sensor for Copper. Inorganic Chemistry, 59(1):669-677.

2019

Mattiat, Johann; Luber, Sandra (2019). Vibrational (resonance) Raman optical activity with real time time dependent density functional theory. Journal of Chemical Physics, 151(23):234110.

Gatien, Julie; Mermillod, Pascal; Tsikis, Guillaume; Bernardi, Ophélie; Janati Idrissi, Sarah; Uzbekov, Rustem; Le Bourhis, Daniel; Salvetti, Pascal; Almiñana, Carmen; Saint-Dizier, Marie (2019). Metabolomic profile of oviductal extracellular vesicles across the estrous cycle in cattle. International Journal of Molecular Sciences, 20(24):E6339.

Zhang, Lu; Fu, Xianjun; Gui, Ting; Wang, Tianqi; Wang, Zhenguo; Kullak-Ublick, Gerd A; Gai, Zhibo (2019). Effects of Farnesiferol B on Ischemia-Reperfusion-Induced Renal Damage, Inflammation, and NF-κB Signaling. International Journal of Molecular Sciences, 20(24):6280.

Decker, Sarah; Zwick, Anabel; Khaja Saleem, Shifa; Kissel, Sandra; Rettig, Andres; Aumann, Konrad; Dierks, Christine (2019). Optimized xenograft protocol for chronic lymphocytic leukemia results in high engraftment efficiency for All CLL subgroups. International Journal of Molecular Sciences, 20(24):E6277.

Li, Yaozong; Bedi, Rajiv Kumar; Wiedmer, Lars; Huang, Danzhi; Śledź, Pawel; Caflisch, Amedeo (2019). Flexible binding of m$^{6}$A reader protein YTHDC1 to its preferred RNA motif. Journal of Chemical Theory and Computation, 15(12):7004-7014.

Mlostoń, Grzegorz; Celeda, Malgorzata; Jasiński, Marcin; Urbaniak, Katarzyna; Boratynski, Przemyslaw J; Schreiner, Peter R.; Heimgartner, Heinz (2019). 2-Unsubstituted Imidazole N-Oxides as Novel Precursors of Chiral 3-Alkoxyimidazol-2-ylidenes Derived from trans-1,2-Diaminocyclohexane and Other Chiral Amino Compounds. Molecules, 24:4398.

Latychevskaia, Tatiana (2019). Reconstruction of missing information in diffraction patterns and holograms by iterative phase retrieval. Optics Communications, 452:56-67.

Brown, Christopher J M; Gotsbacher, Michael P; Holland, Jason P; Codd, Rachel (2019). endo-Hydroxamic Acid Monomers for the Assembly of a Suite of Non-native Dimeric Macrocyclic Siderophores Using Metal-Templated Synthesis. Inorganic Chemistry, 58(20):13591-13603.

Machałowski, Tomasz; Wysokowski, Marcin; Tsurkan, Mikhail V; Galli, Roberta; Schimpf, Christian; Rafaja, David; Brendler, Erica; Viehweger, Christine; Żółtowska-Aksamitowska, Sonia; Petrenko, Iaroslav; Czaczyk, Katarzyna; Kraft, Michael; Bertau, Martin; Bechmann, Nicole; Guan, Kaomei; Bornstein, Stefan R; Voronkina, Alona; Fursov, Andriy; Bejger, Magdalena; Biniek-Antosiak, Katarzyna; Rypniewski, Wojciech; Figlerowicz, Marek; Pokrovsky, Oleg; Jesionowski, Teofil; Ehrlich, Hermann (2019). Spider Chitin: An Ultrafast Microwave-Assisted Method for Chitin Isolation from Spider Molt Cuticle. Molecules, 24(20):online.

Schubert, Mario; Binnewerg, Björn; Voronkina, Alona; Muzychka, Lyubov; Wysokowski, Marcin; Petrenko, Iaroslav; Kovalchuk, Valentine; Tsurkan, Mikhail; Martinovic, Rajko; Bechmann, Nicole; Ivanenko, Viatcheslav N; Fursov, Andriy; Smolii, Oleg B; Fromont, Jane; Joseph, Yvonne; Bornstein, Stefan R; Giovine, Marco; Erpenbeck, Dirk; Guan, Kaomei; Ehrlich, Hermann (2019). Naturally Prefabricated Marine Biomaterials: Isolation and Applications of Flat Chitinous 3D Scaffolds from (Demospongiae: Verongiida). International Journal of Molecular Sciences, 20(20):online.

Schneider, Lukas; Larocca, Michele; Wu, Wenyu; Babu, Vipin; Padrutt, Roxane; Slyshkina, Ekaterina; König, Christiane; Ferrari, Stefano; Spingler, Bernhard (2019). Exocyclically metallated tetrapyridinoporphyrazine as a potential photosensitizer for photodynamic therapy. Photochemical & Photobiological Sciences, 18(11):2792-2803.

Frieß, Sibylle; Herrera, Alberto; Linden, Anthony; Heinemann, Frank W; Dorta, Romano (2019). Towards enantiopure macrocyclic trans-dinucleating hemilabile P-Alkene ligands: Syntheses, structures, and Chiral Pd-Complexes. Journal of Organometallic Chemistry, 898:120876.

Genov, Nikolai; Castellana, Stefano; Scholkmann, Felix; Capocefalo, Daniele; Truglio, Mauro; Rosati, Jessica; Turco, Elisa Maria; Biagini, Tommaso; Carbone, Annalucia; Mazza, Tommaso; Relógio, Angela; Mazzoccoli, Gianluigi (2019). A Multi-Layered Study on Harmonic Oscillations in Mammalian Genomics and Proteomics. International Journal of Molecular Sciences, 20(18):4585.

Karges, Johannes; Blacque, Olivier; Chao, Hui; Gasser, Gilles (2019). Polymeric Bis(dipyrrinato) Zinc(II) Nanoparticles as Selective Imaging Probes for Lysosomes of Cancer Cells. Inorganic Chemistry, 58(18):12422-12432.

Gut, Melanie; Holland, Jason P (2019). Synthesis and Photochemical Studies on Gallium and Indium Complexes of DTPA-PEG3-ArN3 for Radiolabeling Antibodies. Inorganic Chemistry, 58(18):12302-12310.

Zabka, Wolf-Dietrich; Musso, Tiziana; Mosberger, Mathias; Novotny, Zbynek; Totani, Roberta; Iannuzzi, Marcella; Probst, Benjamin; Alberto, Roger; Osterwalder, Jürg (2019). Comparative Study of the Different Anchoring of Organometallic Dyes on Ultrathin Alumina. Journal of Physical Chemistry C, 123(36):22250-22260.

Ribar, Peter; Šolomek, Tomáš; Juricek, Michal (2019). Gram-Scale Synthesis and Supramolecular Complex of Precursors of Clar’s Hydrocarbon Triangulene. Organic Letters, 21(17):7124-7128.

Miroslavov, Alexander E; Britvin, Sergey N; Braband, Henrik; Alberto, Roger; Stepanova, Ekaterina S; Shevyakova, Anna P; Sidorenko, Georgy V; Lumpov, Alexander A (2019). Water-soluble carbonyl complexes of 99Tc(I) and Re(I) with adamantane-cage aminophosphines PTA and CAP. Journal of Organometallic Chemistry, 896:83-89.

Han, Ruocheng; Rempfer, Katharina; Zhang, Miao; Dobbek, Holger; Zouni, Athina; Dau, Holger; Luber, Sandra (2019). Investigating the Structure and Dynamics of Apo‐Photosystem II. ChemCatChem, 11(16):4072-4080.

Oppelt, Kerstin; Fernández-Terán, Ricardo; Pfister, Rolf; Hamm, Peter (2019). Geminate Recombination versus Cage Escape in the Reductive Quenching of a Re(I) Carbonyl Complex on Mesoporous ZrO2. Journal of Physical Chemistry C, 123(32):19952-19961.

Fabris, Luca; Spirli, Carlo; Mertens, Joachim (2019). Cell Interactions in Biliary Diseases: Clues from Pathophysiology and Repair Mechanisms to Foster Early Assessment. International Journal of Molecular Sciences, 20(16):3961.

Hamm, Peter (2019). Velocity echoes in water. Journal of Chemical Physics, 151(5):054505.

Ciardi, Gustavo; Berger, Arian; Hamm, Peter; Shalit, Andrey (2019). Signatures of Intra- and Intermolecular Vibrational Coupling in Halogenated Liquids Revealed by Two-Dimensional Raman-Terahertz Spectroscopy. Journal of Physical Chemistry Letters, 10(15):4463-4468.

Bachmeier, Beatrice E; Melchart, Dieter (2019). Therapeutic effects of curcumin—From traditional past to present and future clinical applications. International Journal of Molecular Sciences, 20(15):3757.

Zhang, Chao; Hutter, Jürg; Sprik, Michiel (2019). Coupling of Surface Chemistry and Electric Double Layer at TiO2 Electrochemical Interfaces. Journal of Physical Chemistry Letters, 10(14):3871-3876.

Preger, Calle; Bulbucan, Claudiu; Meuller, Bengt O; Ludvigsson, Linus; Kostanyan, Aram; Muntwiler, Matthias; Deppert, Knut; Westerström, Rasmus; Messing, Maria E (2019). Controlled Oxidation and Self-Passivation of Bimetallic Magnetic FeCr and FeMn Aerosol Nanoparticles. Journal of Physical Chemistry C, 123(26):16083-16090.

Oppermann, Malte; Spekowius, Jasmin; Bauer, Benjamin; Pfister, Rolf; Chergui, Majed; Helbing, Jan (2019). Broad-Band Ultraviolet CD Spectroscopy of Ultrafast Peptide Backbone Conformational Dynamics. Journal of Physical Chemistry Letters, 10(11):2700-2705.

Ohno, Koichi; Satoh, Hiroko; Iwamoto, Takeaki (2019). Quantum chemical exploration of new π-electron systems: Capsule-formed dimers of polycyclic aromatic hydrocarbons. Chemical Physics Letters, 725:59-65.

Dikova, Krasimira; Kostova, Kalina; Simova, Svetlana; Linden, Anthony; Chimov, Angel; Dimitrov, Vladimir (2019). Synthesis and crystal structures of chiral ferrocene and ruthenocene substituted aminomethylnaphthols obtained through Betti-condensation. Polyhedron, 165:177-187.

Thiel, Cora Sandra; Tauber, Svantje; Lauber, Beatrice; Polzer, Jennifer; Seebacher, Christian; Uhl, Rainer; Neelam, Srujana; Zhang, Ye; Levine, Howard; Ullrich, Oliver (2019). Rapid Morphological and Cytoskeletal Response to Microgravity in Human Primary Macrophages. International Journal of Molecular Sciences, 20(10):2402.

Hattori, Hiromu; Hoff, Lukas V; Gademann, Karl (2019). Total Synthesis and Structural Revision of Mangrolide D. Organic Letters, 21(9):3456-3459.

Spannbauer, Andreas; Traxler, Denise; Lukovic, Dominika; Zlabinger, Katrin; Winkler, Johannes; Gugerell, Alfred; Ferdinandy, Péter; Hausenloy, Derek J; Pavo, Noemi; Emmert, Maximilian Y; Hoerstrup, Simon P; Jakab, András; Gyöngyösi, Mariann; Riesenhuber, Martin (2019). Effect of Ischemic Preconditioning and Postconditioning on Exosome-Rich Fraction microRNA Levels, in Relation with Electrophysiological Parameters and Ventricular Arrhythmia in Experimental Closed-Chest Reperfused Myocardial Infarction. International Journal of Molecular Sciences, 20(9):2140.

Thiel, Cora Sandra; Tauber, Svantje; Seebacher, Christian; Schropp, Martin; Uhl, Rainer; Lauber, Beatrice; Polzer, Jennifer; Neelam, Srujana; Zhang, Ye; Ullrich, Oliver (2019). Real-Time 3D High-Resolution Microscopy of Human Cells on the International Space Station. International Journal of Molecular Sciences, 20(8):2033.

Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier (2019). Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as O,O′-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy. Acta Crystallographica. Section C: Structural Chemistry, 75(4):378-387.

Porcheri, Cristina; Meisel, Christian Thomas; Mitsiadis, Thimios (2019). Multifactorial Contribution of Notch Signaling in Head and Neck Squamous Cell Carcinoma. International Journal of Molecular Sciences, 20(6):1520.

Działo, Edyta; Rudnik, Michał; Koning, Roman I; Czepiel, Marcin; Tkacz, Karolina; Baj-Krzyworzeka, Monika; Distler, Oliver; Siedlar, Maciej; Kania, Gabriela; Błyszczuk, Przemysław (2019). WNT3a and WNT5a Transported by Exosomes Activate WNT Signaling Pathways in Human Cardiac Fibroblasts. International Journal of Molecular Sciences, 20(6):E1436.

Bacci, Marco; Caflisch, Amedeo; Vitalis, Andreas (2019). On the removal of initial state bias from simulation data. Journal of Chemical Physics, 150(10):104105.

Mlostoń, Grzegorz; Romanski, Jaroslaw; Weigand, Wolfgang; Heimgartner, Heinz (2019). Organic and Coordination Chemistry of 1,2,4‐Trithiolanes. European Journal of Organic Chemistry, 2019(9):1867-1875.

Foppa, Lucas; Iannuzzi, Marcella; Copéret, Christophe; Comas-Vives, Aleix (2019). CO methanation on ruthenium flat and stepped surfaces: Key role of H-transfers and entropy revealed by ab initio molecular dynamics. Journal of Catalysis, 371:270-275.

Obijalska, Emilia; Blaszczyk, Magdalena; Kowalski, Marcin K; Mlostoń, Grzegorz; Heimgartner, Heinz (2019). A novel access to 4-trifluoromethyl-1,3-thiazole derivatives via an intermediate thiocarbonyl ylide. Journal of Fluorine Chemistry, 220:35-40.

Takahashi, Keisuke; Takahashi, Lauren; Miyazato, Itsuki; Fujima, Jun; Tanaka, Yuzuru; Uno, Takeaki; Satoh, Hiroko; Ohno, Koichi; Nishida, Mayumi; Hirai, Kenji; Ohyama, Junya; Nguyen, Thanh Nhat; Nishimura, Shun; Taniike, Toshiaki (2019). The Rise of Catalyst Informatics: Towards Catalyst Genomics. ChemCatChem, 11(4):1146-1152.

Schnell, Simon D; Linden, Anthony; Gademann, Karl (2019). Synthesis of Two Key Fragments of the Complex Polyhalogenated Marine Meroterpenoid Azamerone. Organic Letters, 21(4):1144-1147.

Gai, Zhibo; Samodelov, Sophia L.; Kullak-Ublick, Gerd A.; Visentin, Michele (2019). Molecular Mechanisms of Colistin-Induced Nephrotoxicity. Molecules, 24(3):653.

Opitz, Isabelle; Kirschner, Michaela B (2019). Molecular Research in Chronic Thromboembolic Pulmonary Hypertension. International Journal of Molecular Sciences, 20(3):E784.

Ohno, Koichi; Satoh, Hiroko; Iwamoto, Takeaki (2019). Quantum chemical exploration of dimeric forms of polycyclic aromatic hydrocarbons, naphthalene, perylene, and coronene. Chemical Physics Letters, 716:147-154.

Payvand, Melika; Nair, Manu V.; Müller, Lorenz K.; Indiveri, Giacomo (2019). A neuromorphic systems approach to in-memory computing with non-ideal memristive devices: from mitigation to exploitation. Faraday Discussions, 213:487-510.

Hamm, Peter; Sidler, David (2019). Feynman Diagram Description of 2D-Raman-THz Spectroscopy Applied to Water. Journal of Chemical Physics, 150(4):044202.

Mlostoń, Grzegorz; Celeda, Malgorzata; Jasinski, Radomir; Heimgartner, Heinz (2019). Experimental and Computational Studies on Stepwise [3+2]-Cycloadditions of Diaryldiazomethanes with Electron-Deficient Dimethyl (E)- and (Z)-2,3-Dicyanobutenedioates. European Journal of Organic Chemistry, 2019(2-3):422-431.

Ciullo, Alessandra; Biemmi, Vanessa; Milano, Giuseppina; Bolis, Sara; Cervio, Elisabetta; Fertig, Emanuel Tudor; Gherghiceanu, Mihaela; Moccetti, Tiziano; Camici, Giovanni G; Vassalli, Giuseppe; Barile, Lucio (2019). Exosomal Expression of CXCR4 Targets Cardioprotective Vesicles to Myocardial Infarction and Improves Outcome after Systemic Administration. International Journal of Molecular Sciences, 20(3):E468.

Furrer, Lenz; Jancso, Anna; Colic, Nicola; Rinaldi, Fabio (2019). OGER++: hybrid multi-type entity recognition. Journal of Cheminformatics, 11(1):7.

Vogel, Johannes; Thiel, Cora Sandra; Tauber, Svantje; Stockmann, Christian; Gassmann, Max; Ullrich, Oliver (2019). Expression of Hypoxia-Inducible Factor 1α (HIF-1α) and genes of related pathways in altered gravity. International Journal of Molecular Sciences, 20(2):E436.

Lukovic, Dominika; Gugerell, Alfred; Zlabinger, Katrin; Winkler, Johannes; Pavo, Noemi; Baranyai, Tamás; Giricz, Zoltán; Varga, Zoltán V; Riesenhuber, Martin; Spannbauer, Andreas; Traxler, Denise; Jakab, András; Garamvölgyi, Rita; Petnehazy, Örs; Pils, Dietmar; Tóth, Levente; Schulz, Rainer; Ferdinandy, Péter; Gyöngyösi, Mariann (2019). Transcriptional Alterations by Ischaemic Postconditioning in a Pig Infarction Model: Impact on Microvascular Protection. International Journal of Molecular Sciences, 20(2):344.

Staub, Ruben; Iannuzzi, Marcella; Khaliullin, Rustam Z; Steinmann, Stephan N (2019). Energy Decomposition Analysis for Metal Surface–Adsorbate Interactions by Block Localized Wave Functions. Journal of Chemical Theory and Computation, 15(1):265-275.

2018

Gao, Tian; Díaz-Hirashi, Zyanya; Verdeguer, Francisco (2018). Metabolic signaling into chromatin modifications in the regulation of gene expression. International Journal of Molecular Sciences, 19(12):4108.

Saddiqi, Naeem-ul-Hasan; Patra, Debabrata; Seeger, Stefan (2018). Room Temperature Synthesis of Germanium Oxide Nanofilaments and Their Potential Use as Luminescent Self‐Cleaning Surfaces. ChemPhysChem:Epub ahead of print.

Schuler, Benjamin; Szabo, Attila; Wolynes, Peter G (2018). Tribute to William A. Eaton. Journal of Physical Chemistry B, 122(49):10971-10973.

Zhang, Yuanbin; Sun, Yuji; Wang, Tao; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon (2018). Synthesis and Structural Characterization of Amidine, Amide, Urea and Isocyanate Derivatives of the Amino-closo-dodecaborate Anion [B12H11NH3]−. Molecules, 23(12):3137.

Felley-Bosco, Emanuela (2018). Special Issue on Mechanisms of Mesothelioma Heterogeneity: Highlights and Open Questions. International Journal of Molecular Sciences, 19(11):E3560-E3560.

Kwiatkowski, Grzegorz; Polyhach, Yevhen; Jähnig, Fabian; Shiroka, Toni; Starsich, Fabian H L; Ernst, Matthias; Kozerke, Sebastian (2018). Exploiting Endogenous Surface Defects for Dynamic Nuclear Polarization of Silicon Micro- and Nanoparticles. Journal of Physical Chemistry C, 122(44):25668-25680.

Mattiat, Johann; Luber, Sandra (2018). Efficient calculation of (resonance) Raman spectra and excitation profiles with real-time propagation. Journal of Chemical Physics, 149(17):174108.

Esposito, Carmen; Vitalis, Andreas (2018). Precise estimation of transfer free energies for ionic species between similar media. Physical Chemistry Chemical Physics (PCCP), 20(42):27003-27010.

Lan, Jinggang; Hutter, Jürg; Iannuzzi, Marcella (2018). First-Principles Simulations of an Aqueous CO/Pt(111) Interface. Journal of Physical Chemistry C, 122(42):24068-24076.

Siegenthaler, Barbara; Ghayor, Chafik; Gjoksi-Cosandey, Bebeka; Ruangsawasdi, Nisarat; Weber, Franz E (2018). The Bromodomain Inhibitor N-Methyl pyrrolidone Prevents Osteoporosis and BMP-Triggered Sclerostin Expression in Osteocytes. International Journal of Molecular Sciences, 19(11):3332.

Zanobini, Claudio; Bozovic, Olga; Jankovic, Brankica; Koziol, Klemens L; Johnson, Philip J M; Hamm, Peter; Gulzar, Adnan; Wolf, Steffen; Stock, Gerhard (2018). Azidohomoalanine: A Minimally Invasive, Versatile, and Sensitive Infrared Label in Proteins To Study Ligand Binding. Journal of Physical Chemistry B, 122(44):10118-10125.

Grotz, Kara K; Nueesch, Mark F; Holmstrom, Erik D; Heinz, Marcel; Stelzl, Lukas S; Schuler, Benjamin; Hummer, Gerhard (2018). Dispersion Correction Alleviates Dye Stacking of Single-Stranded DNA and RNA in Simulations of Single-Molecule Fluorescence Experiments. Journal of Physical Chemistry B, 122:11626-11639.

Zheng, Wenwei; Hofmann, Hagen; Schuler, Benjamin; Best, Robert B (2018). Origin of Internal Friction in Disordered Proteins Depends on Solvent Quality. Journal of Physical Chemistry B, 122:11478-11487.

Tauber, Svantje; Christoffel, Swantje; Thiel, Cora Sandra; Ullrich, Oliver (2018). Transcriptional Homeostasis of Oxidative Stress-Related Pathways in Altered Gravity. International Journal of Molecular Sciences, 19(9):2814.

Dingfelder, Fabian; Benke, Stephan; Nettels, Daniel; Schuler, Benjamin (2018). Mapping an Equilibrium Folding Intermediate of the Cytolytic Pore Toxin ClyA with Single-Molecule FRET. Journal of Physical Chemistry B, 122:11251-11261.

Golze, Dorothea; Wilhelm, Jan; van Setten, Michiel J; Rinke, Patrick (2018). Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis. Journal of Chemical Theory and Computation, 14(9):4856-4869.

Hernández-Valdés, Daniel; Meola, Giuseppe; Braband, Henrik; Spingler, Bernhard; Alberto, Roger (2018). Direct Synthesis of Non-Alkyl Functionalized Bis-Arene Complexes of Rhenium and 99(m)Technetium. Organometallics, 37(17):2910-2916.

Hehlgans, Stephanie; Booms, Patrick; Güllülü, Ömer; Sader, Robert; Rödel, Claus; Balermpas, Panagiotis; Rödel, Franz; Ghanaati, Shahram (2018). Radiation Sensitization of Basal Cell and Head and Neck Squamous Cell Carcinoma by the Hedgehog Pathway Inhibitor Vismodegib. International Journal of Molecular Sciences, 19(9):2485.

Silva, Caio C; Iannuzzi, Marcella; Duncan, David A; Ryan, Paul T P; Clarke, Katherine T; Küchle, Johannes T; Cai, Jiaqi; Jolie, Wouter; Schlueter, Christoph; Lee, Tien-Lin; Busse, Carsten (2018). Valleys and Hills of Graphene on Ru(0001). Journal of Physical Chemistry C, 122(32):18554-18561.

Ilie, Ioana M; Caflisch, Amedeo (2018). Disorder at the Tips of a Disease-Relevant Aβ42 Amyloid Fibril: A Molecular Dynamics Study. Journal of Physical Chemistry B, 122:11072-11082.

Suter, Dominik; van Summeren, Luuk T C G; Blacque, Olivier; Venkatesan, Koushik (2018). Highly Stable and Strongly Emitting N-Heterocyclic Carbene Platinum(II) Biaryl Complexes. Inorganic Chemistry, 57(14):8160-8168.

Schuler, Benjamin (2018). Perspective: Chain dynamics of unfolded and intrinsically disordered proteins from nanosecond fluorescence correlation spectroscopy combined with single-molecule FRET. Journal of Chemical Physics, 149(1):010901.

Stania, R; Seitsonen, A P; Kunhardt, D; Büchner, B; Popov, A A; Muntwiler, M; Greber, T (2018). Electrostatic Interaction across a Single-Layer Carbon Shell. Journal of Physical Chemistry Letters, 9(13):3586-3590.

Stolze, Karoline; Kong, Tai; von Rohr, Fabian O; Cava, Robert J (2018). Crystal structure and anisotropic magnetic properties of CaCo4(TeO3)4Cl2. Journal of Solid State Chemistry, 263:141-147.

Sidler, David; Meuwly, Markus; Hamm, Peter (2018). An efficient water force field calibrated against intermolecular THz and Raman spectra. Journal of Chemical Physics, 148(24):244504.

Ahmed, Saima; Pasti, Andrea; Fernández-Terán, Ricardo J; Ciardi, Gustavo; Shalit, Andrey; Hamm, Peter (2018). Aqueous solvation from the water perspective. Journal of Chemical Physics, 148(23):234505.

Busch, Michael; Fabrizio, Alberto; Luber, Sandra; Hutter, Jürg; Corminboeuf, Clemence (2018). Exploring the Limitation of Molecular Water Oxidation Catalysts. Journal of Physical Chemistry C, 122(23):12404-12412.

Wellig, Sebastian; Hamm, Peter (2018). Solvation Layer of Antifreeze Proteins Analyzed with a Markov State Model. Journal of Physical Chemistry B, 122(49):11014-11022.

Bachmeier, Beatrice; Killian, Peter; Melchart, Dieter (2018). The role of curcumin in prevention and management of metastatic disease. International Journal of Molecular Sciences, 19(6):1716.

Collier, Thomas L; Dahl, Kenneth; Stephenson, Nickeisha A; Holland, Jason P; Riley, Adam; Liang, Steven H; Vasdev, Neil (2018). Recent applications of a single quadrupole mass spectrometer in 11C, 18F and radiometal chemistry. Journal of Fluorine Chemistry, 210:46-55.

Mlostoń, Grzegorz; Hamera-Faldyga, Roza; Celeda, Malgorzata; Heimgartner, Heinz (2018). Efficient synthesis of ferrocifens and other ferrocenyl-substituted ethylenes via a ‘sulfur approach’. Organic & Biomolecular Chemistry, 16(23):4350-4356.

Oehl, Kathrin; Vrugt, Bart; Opitz, Isabelle; Meerang, Mayura (2018). Heterogeneity in Malignant Pleural Mesothelioma. International Journal of Molecular Sciences, 19(6):E1603.

Aebersold, Mathias J; Dermutz, Harald; Demkó, László; Cogollo, José F Saenz; Lin, Shiang-Chi; Burchert, Conrad; Schneider, Moritz; Ling, Doris; Forró, Csaba; Han, Hana; Zambelli, Tomaso; Vörös, János (2018). Local Chemical Stimulation of Neurons with the Fluidic Force Microscope (FluidFM). ChemPhysChem, 19(10):1234-1244.

Véron, Anna C; Linden, Anthony; Leclaire, Nicolas A; Roedern, Elsa; Hu, Shunbo; Ren, Wei; Rentsch, Daniel; Nüesch, Frank A (2018). One-Dimensional Organic–Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations. Journal of Physical Chemistry Letters, 9(9):2438-2442.

Felley-Bosco, Emanuela; Rehrauer, Hubert (2018). Non-Coding Transcript Heterogeneity in Mesothelioma: Insights from Asbestos-Exposed Mice. International Journal of Molecular Sciences, 19(4):1163.

Aristizabal Prada, Elke Tatjana; Castellano, Isabella; Sušnik, Eva; Yang, Yuhong; Meyer, Lucie S; Tetti, Martina; Beuschlein, Felix; Reincke, Martin; Williams, Tracy A (2018). Comparative Genomics and Transcriptome Profiling in Primary Aldosteronism. International Journal of Molecular Sciences, 19(4):1124.

Lardi, Martina; Liu, Yilei; Giudice, Gaetano; Ahrens, Christian H; Zamboni, Nicola; Pessi, Gabriella (2018). Metabolomics and Transcriptomics Identify Multiple Downstream Targets of Paraburkholderia phymatum σ54 During Symbiosis with Phaseolus vulgaris. International Journal of Molecular Sciences, 19(4):1049.

Obijalska, Emilia; Pawelec, Maria; Mlostoń, Grzegorz; Capperucci, Antonella; Tanini, Damiano; Heimgartner, Heinz (2018). A Remarkable Influence of a Trifluoromethyl Group on the Reactions of β‐Mercaptoalcohols with Fluorinated α‐Bromoenones. European Journal of Organic Chemistry, 2018(27-28):3716-3723.

Makarov, Dmitrii E; Schuler, Benjamin (2018). Preface: Special Topic on Single-Molecule Biophysics. Journal of Chemical Physics, 148(12):123001.

Wicki, Simone; Gurzeler, Ursina; Corazza, Nadia; Genitsch, Vera; Wong, Wendy; Kaufmann, Thomas (2018). Loss of BID Delays FASL-Induced Cell Death of Mouse Neutrophils and Aggravates DSS-Induced Weight Loss. International Journal of Molecular Sciences, 19(3):684.

Paleček, David; Tek, Gökçen; Lan, Jinggang; Iannuzzi, Marcella; Hamm, Peter (2018). Characterization of the Platinum–Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy. Journal of Physical Chemistry Letters, (9):1254-1259.

Hennig, Paulina; Garstkiewicz, Martha; Grossi, Serena; Di Filippo, Michela; French, Lars E; Beer, Hans-Dietmar (2018). The Crosstalk between Nrf2 and Inflammasomes. International Journal of Molecular Sciences, 19(2):562.

Joliat-Wick, Evelyne; Weder, Nicola; Klose, Daniel; Bachmann, Cyril; Spingler, Bernhard; Probst, Benjamin; Alberto, Roger (2018). Light-Induced H2 Evolution with a Macrocyclic Cobalt Diketo-Pyrphyrin as a Proton-Reducing Catalyst. Inorganic Chemistry, 57(3):1651-1655.

Wilhelm, Jan; Golze, Dorothea; Talirz, Leopold; Hutter, Jürg; Pignedoli, Carlo A (2018). Toward GW Calculations on Thousands of Atoms. Journal of Physical Chemistry Letters, 9(2):306-312.

Kraack, Jan Philip; Hamm, Peter (2018). Solvent-Controlled Morphology of Catalytic Monolayers at Solid–Liquid Interfaces. Journal of Physical Chemistry C, 122(4):2259-2267.

Luber, Sandra (2018). Localized molecular orbitals for calculation and analysis of vibrational Raman optical activity. Physical Chemistry Chemical Physics (PCCP), 20(45):28751-28758.

Weinmann, Christian; Holland, Jason P; Läppchen, Tilman; Scherer, Harald; Maus, Stephan; Stemler, Tobias; Bohnenberger, Hendrik; Ezziddin, Samer; Kurz, Philipp; Bartholomä, Mark D (2018). Optimized synthesis and indium complex formation with the bifunctional chelator NODIA-Me. Organic & Biomolecular Chemistry, 16(40):7503-7512.

Gallo, Sofia; Sigel, Roland K O (2018). Covalent and non-covalent binding of platinated vitamin B 12 -derivatives to a B 12 responsive riboswitch. Inorganica Chimica Acta, 472:214-220.

Mahmoudi, Leila; Zelder, Felix; Kissner, Reinhard (2018). Determination of the formal redox potentials of the cyanhaemoglobin/cyanmethaemoglobin and the myoglobin/metmyoglobin couples at neutral pH. Bioelectrochemistry, 120:83-86.

Steinmann, Stephan N; Ferreira De Morais, Rodrigo; Götz, Andreas W; Fleurat-Lessard, Paul; Iannuzzi, Marcella; Sautet, Philippe; Michel, Carine (2018). Force Field for Water over Pt(111): Development, Assessment, and Comparison. Journal of Chemical Theory and Computation, 14(6):3238-3251.

Zheng, Wenwei; Zerze, Gül H; Borgia, Alessandro; Mittal, Jeetain; Schuler, Benjamin; Best, Robert B (2018). Inferring properties of disordered chains from FRET transfer efficiencies. Journal of Chemical Physics, 148(12):123329.

Mondal, Arobendo; Gaultois, Michael W; Pell, Andrew J; Iannuzzi, Marcella; Grey, Clare P; Hutter, Jürg; Kaupp, Martin (2018). Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K. Journal of Chemical Theory and Computation, 14(1):377-394.

Mokolokolo, Pennie P; Frei, Angelo; Tsosane, Mampotso S; Kama, Dumisani V; Schutte-Smith, Marietjie; Brink, Alice; Visser, Hendrik G; Meola, Giuseppe; Alberto, Roger; Roodt, Andreas (2018). Nuclearity manipulation in Schiff-base fac -tricarbonyl complexes of Mn(I) and Re(I). Inorganica Chimica Acta, 471:249-256.

Hadzic, Mélodie C A S; Börner, Richard; König, Sebastian L B; Kowerko, Danny; Sigel, Roland K O (2018). Reliable State Identification and State Transition Detection in Fluorescence Intensity-Based Single-Molecule Förster Resonance Energy-Transfer Data. Journal of Physical Chemistry B, 122(23):6134-6147.

Reinartz, Ines; Sinner, Claude; Nettels, Daniel; Stucki-Buchli, Brigitte; Stockmar, Florian; Panek, Pawel T; Jacob, Christoph R; Nienhaus, Gerd Ulrich; Schuler, Benjamin; Schug, Alexander (2018). Simulation of FRET dyes allows quantitative comparison against experimental data. Journal of Chemical Physics, 148(12):123321.

Ruggeri, Francesca; Krishnan, Madhavi (2018). Spectrally resolved single-molecule electrometry. Journal of Chemical Physics, 148(12):123307.

Ilazi, Agron; Liffert, Raphael; Gademann, Karl (2018). Total Synthesis of the Polyoxygenated Sesquiterpenes Guignarderemophilanes C and D. Helvetica Chimica Acta, (101):e1800011.

2017

Kraack, Jan Philip; Sévery, Laurent; Tilley, S David; Hamm, Peter (2017). Plasmonic Substrates Do Not Promote Vibrational Energy Transfer at Solid–Liquid Interfaces. Journal of Physical Chemistry Letters, 9(1):49-56.

Stucki-Buchli, Brigitte; Johnson, Philip J M; Bozovic, Olga; Zanobini, Claudio; Koziol, Klemens L; Hamm, Peter; Gulzar, Adnan; Wolf, Steffen; Buchenberg, Sebastian; Stock, Gerhard (2017). 2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 Domain. Journal of Physical Chemistry. A, 121(49):9435-9445.

El Amki, Mohamad; Wegener, Susanne (2017). Improving cerebral blood flow after arterial recanalization: a novel therapeutic strategy in stroke. International Journal of Molecular Sciences, 18(12):2669.

Bacci, Marco; Langini, Cassiano; Vymětal, Jiří; Caflisch, Amedeo; Vitalis, Andreas (2017). Focused conformational sampling in proteins. Journal of Chemical Physics, 147(19):195102.

Poliani, Emanuele; Wagner, Markus R; Vierck, Asmus; Herziger, Felix; Nenstiel, Christian; Gannott, Florentina; Schweiger, Manuel; Fritze, Stephanie; Dadgar, Armin; Zaumseil, Jana; Krost, Alois; Hoffmann, Axel; Maultzsch, Janina (2017). Breakdown of far-field raman selection rules by light-plasmon coupling demonstrated by tip-enhanced raman scattering. Journal of Physical Chemistry Letters, 8(22):5462-5471.

Zosel, Franziska; Haenni, Dominik; Soranno, Andrea; Nettels, Daniel; Schuler, Benjamin (2017). Combining short- and long-range fluorescence reporters with simulations to explore the intramolecular dynamics of an intrinsically disordered protein. Journal of Chemical Physics, 147(15):152708.

Tran, Halina; Cunha, Ana V; Shephard, Jacob J; Shalit, Andrey; Hamm, Peter; Jansen, Thomas L C; Salzmann, Christoph G (2017). 2D IR spectroscopy of high-pressure phases of ice. Journal of Chemical Physics, 147(14):144501.

Bacci, Marco; Vymětal, Jiří; Mihajlovic, Maja; Caflisch, Amedeo; Vitalis, Andreas (2017). Amyloid β Fibril Elongation by Monomers Involves Disorder at the Tip. Journal of Chemical Theory and Computation, 13(10):5117-5130.

Generali, Melanie; Kehl, Debora; Capulli, Andrew K; Parker, Kevin K; Hoerstrup, Simon P; Weber, Benedikt (2017). Comparative analysis of poly-glycolic acid-based hybrid polymer starter matrices for in vitro tissue engineering. Colloids and Surfaces. B, Biointerfaces, 158:203-212.

Nørgaard, Maibritt; Haldrup, Christa; Storebjerg, Tine Maj; Vestergaard, Else Marie; Wild, Peter J; Høyer, Søren; Borre, Michael; Ørntoft, Torben Falck; Sørensen, Karina Dalsgaard (2017). Comprehensive Evaluation of TFF3 Promoter Hypomethylation and Molecular Biomarker Potential for Prostate Cancer Diagnosis and Prognosis. International Journal of Molecular Sciences, 18(9):1-17.

Mlostoń, Grzegorz; Capperucci, Antonella; Tanini, Damiano; Hamera-Faldyga, Roza; Heimgartner, Heinz (2017). Dialkyl dicyanofumarates as oxidizing reagents for the conversion of thiols into disulfides and selenols into diselenides. European Journal of Organic Chemistry, 2017(46):6831-6839.

Hamm, Peter; Fanourgakis, George S; Xantheas, Sotiris S (2017). A surprisingly simple correlation between the classical and quantum structural networks in liquid water. Journal of Chemical Physics, 147(6):064506.

Scherer, Manuel; Gademann, Karl (2017). Total synthesis and structural revision of aeruginosin KT608A. Organic Letters, 19(14):3915-3918.

Berger, Arian; Savolainen, Janne; Shalit, Andrey; Hamm, Peter (2017). Note: Deep UV-pump THz-probe spectroscopy of the excess electron in water. Journal of Chemical Physics, 146(24):246101.

Hodel, Florian H; Deglmann, Peter; Luber, Sandra (2017). Exploring Solvation Effects in Ligand-Exchange Reactions via Static and Dynamic Methods. Journal of Chemical Theory and Computation, 13(7):3348-3358.

Schulz, Nadine; Chaachouay, Hassan; Nytko, Katarzyna J; Weyland, Mathias S; Roos, Malgorzata; Füchslin, Rudolf M; Guscetti, Franco; Scheidegger, Stephan; Rohrer Bley, Carla (2017). Dynamic In Vivo profiling of DNA damage and repair after radiotherapy using canine patients as a model. International Journal of Molecular Sciences, 18(6):E1176.

Gurdal, Yeliz; Hutter, Jürg; Iannuzzi, Marcella (2017). Insight into (Co)Pyrphyrin Adsorption on Au(111): Effects of Herringbone Reconstruction and Dynamics of Metalation. Journal of Physical Chemistry C, 121(21):11416-11427.

Meola, Giuseppe; Braband, Henrik; Hernández-Valdés, Daniel; Gotzmann, Carla; Fox, Thomas; Spingler, Bernhard; Alberto, Roger (2017). A Mixed-Ring Sandwich Complex from Unexpected Ring Contraction in [Re($η^6$-C$_6$H$_5$Br)($η^6$-C$_6$R$_6$)](PF$_6$). Inorganic Chemistry, 56(11):6297-6301.

Vašák, Milan; Meloni, Gabriele (2017). Mammalian metallothionein-3: new functional and structural insights. International Journal of Molecular Sciences, 18(6):1117.

Kraack, Jan Philip; Frei, Angelo; Alberto, Roger; Hamm, Peter (2017). Ultrafast Vibrational Energy Transfer in Catalytic Monolayers at Solid–Liquid Interfaces. Journal of Physical Chemistry Letters, 8(11):2489-2495.

Johnson, Philip J M; Koziol, Klemens L; Hamm, Peter (2017). Quantifying Biomolecular Recognition with Site-Specific 2D Infrared Probes. Journal of Physical Chemistry Letters, 8(10):2280-2284.

Villars, Fabienne O; Pietra, Claudio; Giuliano, Claudio; Lutz, Thomas A; Riediger, Thomas (2017). Oral Treatment with the Ghrelin Receptor Agonist HM01 Attenuates Cachexia in Mice Bearing Colon-26 (C26) Tumors. International Journal of Molecular Sciences, 18(5):1-18.

Krishnan, Madhavi (2017). A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution. Journal of Chemical Physics, 146(20):205101.

Mlostoń, Grzegorz; Kowalski, Marcin K; Obijalska, Emilia; Heimgartner, Heinz (2017). Efficient synthesis of fluoroalkylated 1,4,2-oxathiazoles via regioselective [3 + 2]-cycloaddition of fluorinated nitrile oxides with thioketones. Journal of Fluorine Chemistry, 199:92-96.

Hamm, Peter; Shalit, Andrey (2017). Perspective: Echoes in 2D-Raman-THz spectroscopy. Journal of Chemical Physics, 146(13):130901.

Hodel, Florian; Luber, Sandra (2017). Dehydrogenation free energy of Co$^{2+}$(aq) from density functional theory-based molecular dynamics. Journal of Chemical Theory and Computation, 13(3):974-981.

Luber, Sandra (2017). Raman optical activity spectra from density functional perturbation theory and density-functional-theory-based molecular dynamics. Journal of Chemical Theory and Computation, 13(3):1254-1262.

Wehlauch, Robin; Grendelmeier, Simone M; Miyatake-Ondozabal, Hideki; Sandtorv, Alexander H; Scherer, Manuel; Gademann, Karl (2017). Investigating biogenetic hypotheses of the securinega alkaloids: enantioselective total syntheses of secu’amamine E/ent-virosine A and bubbialine. Organic Letters, 19(3):548-551.

Ojeda, José; Arrell, Christopher A; Longetti, Luca; Chergui, Majed; Helbing, Jan (2017). Charge-transfer and impulsive electronic-to-vibrational energy conversion in ferricyanide: ultrafast photoelectron and transient infrared studies. Physical Chemistry Chemical Physics (PCCP), 19(26):17052-17062.

Jähnig, Fabian; Kwiatkowski, Grzegorz; Däpp, Alexander; Hunkeler, Andreas; Meier, Beat H; Kozerke, Sebastian; Ernst, Matthias (2017). Dissolution DNP using trityl radicals at 7 T field. Physical Chemistry Chemical Physics (PCCP), 19(29):19196-19204.

Eckert, Sebastian; Niskanen, Johannes; Jay, Raphael M; Miedema, Piter S; Fondell, Mattis; Kennedy, Brian; Quevedo, Wilson; Iannuzzi, Marcella; Föhlisch, Alexander (2017). Valence orbitals and local bond dynamics around N atoms of histidine under X-ray irradiation. Physical Chemistry Chemical Physics (PCCP), 19(47):32091-32098.

Garayalde, David; Rusconi, Giulia; Nevado, Cristina (2017). A gold- and brønsted acid catalytic interplay towards the synthesis of highly substituted tetrahydrocarbazoles. Helvetica Chimica Acta, 100(3):e1600333.

Linden, Anthony (2017). Acta Crystallographica Section C is making an impact. Acta Crystallographica. Section C: Structural Chemistry, 73(1):1.

Ettlin, Julia; Clementi, Elena; Amini, Parisa; Malbon, Alexandra; Markkanen, Enni (2017). Analysis of gene expression signatures in cancer-associated stroma from canine mammary tumours reveals molecular homology to human breast carcinomas. International Journal of Molecular Sciences, 18(6):E1101.

Palacios, Oscar; Jimenez-Marti, Elena; Niederwanger, Michael; Gil-Moreno, Selene; Zerbe, Oliver; Atrian, Silvia; Dallinger, Reinhard; Capdevila, Merce (2017). Analysis of metal-binding features of the wild type and two domain-truncated mutant variants of littorina littorea metallothionein reveals its Cd-specific character. International Journal of Molecular Sciences, 18:1452.

Linden, Anthony (2017). Best practice and pitfalls in absolute structure determination. Tetrahedron: Asymmetry, 28(10):1314-1320.

Niederwanger, Michael; Calatayud, Sara; Zerbe, Oliver; Atrian, Silvia; Albalat, Ricard; Capdevila, Merce; Palacios, Oscar; Dallinger, Reinhard (2017). Biomphalaria glabrata metallothionein: lacking metal specificity of the protein and missing gene upregulation suggest metal sequestration by exchange instead of through selective binding. International Journal of Molecular Sciences, 18:1457.

Schertel, L; Aubry, G J; Aegerter, C M; Maret, G (2017). Coherent multiple light scattering in Faraday active materials. European Physical Journal. Special Topics, 226(7):1409-1421.

Ravat, Prince; Hinkelmann, Rahel; Steinebrunner, David; Prescimone, Alessandro; Bodoky, Ina; Juríček, Michal (2017). Configurational Stability of [5]Helicenes. Organic Letters, 19(14):3707-3710.

Golze, Dorothea; Benedikter, Niels; Iannuzzi, Marcella; Wilhelm, Jan; Hutter, Jürg (2017). Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals. Journal of Chemical Physics, 146(3):034105.

Rybkin, Vladimir V (2017). Franck–Condon theory of quantum mechanochemistry. Journal of Physical Chemistry. A, 121(30):5758-5762.

Schmidtke, Alexander; Läppchen, Tilman; Weinmann, Christian; Bier-Schorr, Lorenz; Keller, Manfred; Kiefer, Yvonne; Holland, Jason P; Bartholomä, Mark D (2017). Gallium Complexation, Stability, and Bioconjugation of 1,4,7-Triazacyclononane Derived Chelators with Azaheterocyclic Arms. Inorganic Chemistry, 56(15):9097-9110.

Otlyotov, Arseniy A; Lamm, Jan-Hendrik; Blomeyer, Sebastian; Mitzel, Norbert W; Rybkin, Vladimir V; Zhabanov, Yuriy A; Tverdova, Natalya V; Giricheva, Nina I; Girichev, Georgiy V (2017). Gas-phase structure of 1,8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions. Physical Chemistry Chemical Physics (PCCP), 19(20):13093-13100.

Kowalski, Marcin K; Obijalska, Emilia; Mlostoń, Grzegorz; Heimgartner, Heinz (2017). Generation and reactions of thiocarbonyl S-(2,2,2-trifluoroethanides). Synthesis of trifluoromethylated 1,3-dithiolanes, thiiranes and alkenes. Journal of Fluorine Chemistry, 200:102-108.

Saddiqi, Naeem-ul-Hasan; Patra, Debabrata; Seeger, Stefan (2017). Hydroxyapatite biomineralization on functionalized silicone nanofilaments. Colloid and Interface Science Communications, 16:1-5.

Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg (2017). Local Fitting of the Kohn–Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations. Journal of Chemical Theory and Computation, 13(5):2202-2214.

Galib, Mirza; Duignan, Timothy T; Misteli, Yannick; Baer, Marcel D; Schenter, Gregory K; Hutter, Jürg; Mundy, Christopher J (2017). Mass density fluctuations in quantum and classical descriptions of liquid water. Journal of Chemical Physics, 146(24):244501.

Sosso, Gabriele Cesare; Caravati, Sebastiano; Rotskoff, Grant; Vaikuntanathan, Suriyanarayanan; Hassanali, Ali A (2017). On the role of non-spherical cavities in short length-scale density fluctuations in water. Journal of Physical Chemistry. A, 121(1):370-380.

Li, Jingyi; Wäckerlin, Christian; Schnidrig, Stephan; Joliat, Evelyne; Alberto, Roger; Ernst, Karl-Heinz (2017). On-Surface Metalation and 2D Self-Assembly of Pyrphyrin Molecules Into Metal-Coordinated Networks on Cu(111). Helvetica Chimica Acta, 100(1):e1600278.

Mayati, Abdullah; Moreau, Amélie; Le Vée, Marc; Stieger, Bruno; Denizot, Claire; Parmentier, Yannick; Fardel, Olivier (2017). Protein Kinases C-Mediated Regulations of Drug Transporter Activity, Localization and Expression. International Journal of Molecular Sciences, 18(4):764.

Esipova, Tatiana V; Rivera-Jacquez, Héctor J; Weber, Bruno; Masunov, Artëm E; Vinogradov, Sergei A (2017). Stabilizing g-States in Centrosymmetric Tetrapyrroles: Two-Photon-Absorbing Porphyrins with Bright Phosphorescence. Journal of Physical Chemistry. A, 121(33):6243-6255.

von Allmen, Kim D; Grundmann, Henrik; Linden, Anthony; Patzke, Greta R (2017). Synthesis and characterization of 0D–3D copper-containing tungstobismuthates obtained from the lacunary precursor Na$_9$[B-$\alpha$-BiW$_9$O$_{33}$]. Inorganic Chemistry, 56(1):327-335.

Meier, Anita; Suter, Mark; Schraner, Elisabeth; Humbel, Bruno; Tobler, Kurt; Ackermann, Mathias; Laimbacher, Andrea (2017). Transfer of anti-rotavirus antibodies during pregnancy and in milk following maternal vaccination with a herpes simplex virus type-1 amplicon vector. International Journal of Molecular Sciences, 18(2):E431.

2016

Kokot, Gasper; Bespalova, Maria; Krishnan, Madhavi (2016). Measured electrical charge of SiO2 in polar and nonpolar media. Journal of Chemical Physics, 145(19):194701.

Manogaran, Praveena; Hanson, James V M; Olbert, Elisabeth D; Egger, Christine; Wicki, Carla; Gerth-Kahlert, Christina; Landau, Klara; Schippling, Sven (2016). Optical Coherence Tomography and Magnetic Resonance Imaging in Multiple Sclerosis and Neuromyelitis Optica Spectrum Disorder. International Journal of Molecular Sciences, 17(11):1-13.

Sidler, Dominik; Schwaninger, Arthur; Riniker, Sereina (2016). Replica exchange enveloping distribution sampling (RE-EDS): A robust method to estimate multiple free-energy differences from a single simulation. Journal of Chemical Physics, 145(15):154114.

Childs, Bradley C; Braband, Henrik; Lawler, Keith; Mast, Daniel S; Bigler, Laurent; Stalder, Urs; Forster, Paul M; Czerwinski, Kenneth R; Alberto, Roger; Sattelberger, Alfred P; Poineau, Frederic (2016). Ditechnetium heptoxide revisited: solid-state, gas-phase, and theoretical studies. Inorganic Chemistry, 55(20):10445-10452.

Meola, Giuseppe; Braband, Henrik; Schmutz, Paul; Benz, Michael; Spingler, Bernhard; Alberto, Roger (2016). Bis-Arene Complexes [Re($η^6$-arene)$_2$]$^+$ as Highly Stable Bioorganometallic Scaffolds. Inorganic Chemistry, 55(21):11131-11139.

Prieto, Lucas; Neuburger, Markus; Spingler, Bernhard; Zelder, Felix (2016). Inorganic cyanide as protecting group in the stereospecific reconstitution of vitamin B12 from an artificial green secocorrinoid. Organic Letters, 18(20):5292-5295.

Hamm, Peter (2016). Markov state model of the two-state behaviour of water. Journal of Chemical Physics, 145(13):134501.

Mlostoń, Grzegorz; Grzelak, Paulina; Heimgartner, Heinz (2016). Strong influence of the trifluoromethyl group on the chemoselectivity of [3+2]-cycloadditions of thiocarbonyl S-methanides with α,β-unsaturated ketones. Journal of Fluorine Chemistry, 190:56-60.

Ghayor, Chafik; Weber, Franz E (2016). Epigenetic Regulation of Bone Remodeling and Its Impacts in Osteoporosis. International Journal of Molecular Sciences, 17(9):online.

Paz-Garcia, J M; Taiwo, O O; Tudisco, E; Finegan, D P; Shearing, P R; Brett, D J L; Hall, S A (2016). 4D analysis of the microstructural evolution of Si-based electrodes during lithiation : Time-lapse X-ray imaging and digital volume correlation. Journal of Power Sources, 320:196-203.

Hofer, Alexandre; Marques, Elia; Kieliger, Nicole; Gatter, Sarah-Kirsten N; Jordi, Sara; Ferrari, Elena; Hofmann, Manuel; Fitzpatrick, Teresa B; Hottiger, Michael O; Jessen, Henning J (2016). Chemoselective Dimerization of Phosphates. Organic Letters, 18(13):3222-3225.

Mlostoń, Grzegorz; Hamera-Faldyga, Roza; Celeda, Malgorzata; Gebicki, Krzystof; Heimgartner, Heinz (2016). Synthesis of ferrocenyl- and hetaryl-substituted 2,2,2-trifluoroethanols and their conversion into 2,2,2-trifluoroethanethiols using Lawesson’s reagent. Journal of Fluorine Chemistry, 188:147-152.

Mlostoń, Grzegorz; Wroblewska, Aneta; Heimgartner, Heinz (2016). Synthesis of optically active trifluoromethyl-substituted 2,3-dihydroimidazo[2,1-b]oxazoles. Journal of Fluorine Chemistry, 189:1-6.

Kraack, Jan Philip; Hamm, Peter (2016). Vibrational ladder-climbing in surface-enhanced, ultrafast infrared spectroscopy. Physical Chemistry Chemical Physics (PCCP), 18(24):16088-16093.

Schaffer, Michelle; Peng, Guanya; Spingler, Bernhard; Schnabl, Joachim; Wang, Meitian; Olieric, Vincent; Sigel, Roland K O (2016). The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations. International Journal of Molecular Sciences, 17(7):988.

Rohner, Melanie; Medina-Molner, Alfredo; Spingler, Bernhard (2016). N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2. Inorganic Chemistry, 55(12):6130-6140.

Markkanen, Enni; Meyer, Urs; Dianov, Grigory (2016). DNA damage and repair in schizophrenia and autism: implications for cancer comorbidity and beyond. International Journal of Molecular Sciences, 17(6):E856.

Fritschi, Stephan P; Linden, Anthony; Heimgartner, Heinz (2016). Synthesis of Macrocyclic Lactones via Ring Transformation of 4-(w-Hydroxyalkyl)-1,3-oxazol-5(4H)-ones. Helvetica Chimica Acta, 99(7):523-538.

Rodenberg, Alexander; Orazietti, Margherita; Mosberger, Mathias; Bachmann, Cyril; Probst, Benjamin; Alberto, Roger; Hamm, Peter (2016). Quinones as reversible electron relays in artificial photosynthesis. ChemPhysChem, 17(9):1321-1328.

Xu, Min; Caflisch, Amedeo; Hamm, Peter (2016). Protein Structural Memory Influences Ligand Binding Mode(s) and Unbinding Rates. Journal of Chemical Theory and Computation, 12(3):1393-1399.

Kraack, Jan Philip; Kaech, Andres; Hamm, Peter (2016). Surface enhancement in ultrafast 2D ATR IR spectroscopy at the metal-liquid interface. Journal of Physical Chemistry C, 120(6):3350-3359.

Khlebnikov, Alexander F; Seyfried, Martin S; Heimgartner, Heinz (2016). Reactions of Diazomethanes with 5-Benzylidene-3-phenylrhodanine - A Computational Study. Helvetica Chimica Acta, 99(2):110-115.

Lotti, Davide; Hamm, Peter; Kraack, Jan Philip (2016). Surface-sensitive spectro-electrochemistry using ultrafast 2D ATR IR spectroscopy. Journal of Physical Chemistry C, 120(5):2883-2892.

Gil-Moreno, Selene; Jiménez-Martí, Elena; Palacios, Oscar; Zerbe, O; Dallinger, Reinhard; Capdevila, Merce; Atrian, Silvia (2016). Does Variation of the Inter-Domain Linker Sequence Modulate the Metal Binding Behaviour of Helix pomatia Cd-Metallothionein? International Journal of Molecular Sciences, 17(6):1-13.

Gurdal, Yeliz; Keskin, Seda (2016). A new approach for predicting gas separation performances of MOF membranes. Journal of Membrane Science, 519:45-54.

De Sarkar, Suman; Blom, Judith F; Bethuel, Yann; Jüttner, Friedrich; Gademann, Karl (2016). Allelopathic Activity of the Iron Chelator Anachelin - A Molecular Hybrid with a Dual Mode of Action. Helvetica Chimica Acta, 99(10):760-773.

Steffen, Fabio D; Sigel, Roland K O; Börner, Richard (2016). An atomistic view on carbocyanine photophysics in the realm of RNA. Physical Chemistry Chemical Physics (PCCP), 18(42):29045-29055.

Herrera, Alberto; Briceño, Alexander; Gonzalez, Teresa; Linden, Anthony; Heinemann, Frank W; Agrifoglio, Giuseppe; Pastrán, Jesús; Dorta, Romano (2016). Camphopyrazole-based N,N- and N,P-ligands and chiral complexes of Ni, Pd, and Rh: P–N bond activation upon Rh(I) complexation. Tetrahedron: Asymmetry, 27(16):759-767.

O'Malley, William; Rubbiani, Riccardo; Aulsebrook, Margaret; Grace, Michael; Spiccia, Leone; Tuck, Kellie; Gasser, Gilles; Graham, Bim (2016). Cellular Uptake and Photo-Cytotoxicity of a Gadolinium(III)-DOTA-Naphthalimide Complex “Clicked” to a Lipidated Tat Peptide. Molecules, 21(2):194.

Schilling, Mauro; Patzke, Greta R; Hutter, Jürg; Luber, Sandra (2016). Computational investigation and design of cobalt aqua complexes for homogeneous water oxidation. Journal of Physical Chemistry C, 120(15):7966-7975.

Zhang, Chao; Hutter, Jürg; Sprik, Michiel (2016). Computing the Kirkwoodg-Factor by Combining Constant Maxwell Electric Field and Electric Displacement Simulations: Application to the Dielectric Constant of Liquid Water. Journal of Physical Chemistry Letters, 7(14):2696-2701.

Bischof, David; Kehl, Florian; Michler, Markus (2016). Design method for a distributed Bragg resonator based evanescent field sensor. Optics Communications, 380:273-279.

Carrera, Ines; Richter, Henning; Beckmann, Katrin; Meier, Dieter; Dennler, Matthias; Kircher, Patrick R (2016). Evaluation of intracranial neoplasia and noninfectious meningoencephalitis in dogs by use of short echo time, single voxel proton magnetic resonance spectroscopy at 3.0 Tesla. American Journal of Veterinary Research, 77(5):452-462.

Wilhelm, Jan; Del Ben, Mauro; Hutter, Jürg (2016). GW in the Gaussian and plane waves scheme with application to linear acenes. Journal of Chemical Theory and Computation, 12(8):3623-3635.

Dunstan, Matthew T; Maugeri, Serena A; Liu, Wen; Tucker, Matthew G; Taiwo, Oluwadamilola O; Gonzalez, Belen; Allan, Phoebe K; Gaultois, Michael W; Shearing, Paul R; Keen, David A; Phillips, Anthony E; Dove, Martin T; Scott, Stuart A; Dennis, John S; Grey, Clare P (2016). In situ studies of materials for high temperature CO2 capture and storage. Faraday Discussions, 192:217-240.

Gabardi, Silvia; Caravati, Sebastiano; Los, Jan H; Kühne, Thomas D; Bernasconi, Marco (2016). Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds. Journal of Chemical Physics, 144(20):204508.

Lanzani, Giorgio; Seitsonen, Ari P; Iannuzzi, Marcella; Laasonen, Kari; Pehkonen, Simo O (2016). Isomerism of Trimeric Aluminum Complexes in Aqueous Environments: Exploration via DFT-Based Metadynamics Simulation. Journal of Physical Chemistry B, 120(45):11800-11809.

Frei, Angelo; Sidler, David; Mokolokolo, Pennie; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Roodt, Andreas; Alberto, Roger (2016). Kinetics and Mechanism of CO Exchange infac-[MBr2(solvent)(CO)3]−(M = Re,99Tc). Inorganic Chemistry, 55(18):9352-9360.

Wilhelm, Jan; Seewald, Patrick; Del Ben, Mauro; Hutter, Jürg (2016). Large-Scale Cubic-Scaling Random Phase Approximation Correlation Energy Calculations Using a Gaussian Basis. Journal of Chemical Theory and Computation, 12:5851-5859.

Miceli, Giacomo; Hutter, Jürg; Pasquarello, Alfredo (2016). Liquid water through density-functional molecular dynamics: plane-wave vs atomic-orbital basis sets. Journal of Chemical Theory and Computation, 12(8):3456-3462.

Tarasava, Katsiaryna; Loebus, Jens; Freisinger, Eva (2016). Localization and Spectroscopic Analysis of the Cu(I) Binding Site in Wheat Metallothionein Ec-1. International Journal of Molecular Sciences, 17(3):371.

O'Malley, William I; Abdelkader, Elwy H; Aulsebrook, Margaret L; Rubbiani, Riccardo; Loh, Choy-Theng; Grace, Michael R; Spiccia, Leone; Gasser, Gilles; Otting, Gottfried; Tuck, Kellie L; Graham, Bim (2016). Luminescent Alkyne-Bearing Terbium(III) Complexes and Their Application to Bioorthogonal Protein Labeling. Inorganic Chemistry, 55(4):1674-1682.

Lardi, Martina; Murset, Valérie; Fischer, Hans-Martin; Mesa, Socorro; Ahrens, Christian H; Zamboni, Nicola; Pessi, Gabriella (2016). Metabolomic Profiling of Bradyrhizobium diazoefficiens-Induced Root Nodules Reveals Both Host Plant-Specific and Developmental Signatures. International Journal of Molecular Sciences, 17(6):815.

Bartova, Simona; Alberti, Elena; Sigel, Roland K O; Donghi, Daniela (2016). Metal ion binding to an RNA internal loop. Inorganica Chimica Acta, 452:104-110.

Börner, Richard; Kowerko, Danny; Guiset Miserachs, Helena; Schaffer, Michelle F; Sigel, Roland K O (2016). Metal ion induced heterogeneity in RNA folding studied by smFRET. Coordination Chemistry Reviews, 327-328:123-142.

Seyfried, Martin S; Alzeer, Jawad; Luedtke, Nathan W (2016). Molecular design and synthesis of a planar telomestatin analogue. European Journal of Organic Chemistry, 2016(2):367-372.

Wang, Fang; Wei, Shiqian; Zhang, Zhi; Patzke, Greta R; Zhou, Ying (2016). Oxygen vacancies as active sites for H$_2$S dissociation on the rutile TiO$_2$(110) surface: a first-principles study. Physical Chemistry Chemical Physics (PCCP), 18(9):6706-6712.

Satoh, Hiroko; Oda, Tomohiro; Nakakoji, Kumiyo; Uno, Takeaki; Tanaka, Hiroaki; Iwata, Satoru; Ohno, Koichi (2016). Potential energy surface-based automatic deduction of conformational transition networks and its application on quantum mechanical landscapes of d-glucose conformers. Journal of Chemical Theory and Computation, 12(11):5293-5308.

Leonidova, Anna; Mari, Cristina; Aebersold, Christine; Gasser, Gilles (2016). Selective Photorelease of an Organometallic-Containing Enzyme Inhibitor. Organometallics, 35(6):851-854.

Luber, Sandra (2016). Sum frequency generation of acetonitrile on a rutile (110) surface from density functional theory-based molecular dynamics. Journal of Physical Chemistry Letters, 7(24):5183-5187.

Hess, Jeannine; Patra, Malay; Pierroz, Vanessa; Spingler, Bernhard; Jabbar, Abdul; Ferrari, Stefano; Gasser, Robin B; Gasser, Gilles (2016). Synthesis, Characterization, and Biological Activity of Ferrocenyl Analogues of the Anthelmintic Drug Monepantel. Organometallics, 35(19):3369-3377.

Weder, Nicola; Alberto, Roger; Koitz, Ralph (2016). Thiourea derivatives as potent inhibitors of aluminum corrosion: atomic-level insight into adsorption and inhibition mechanisms. Journal of Physical Chemistry C, 120(3):1770-1777.

Bachmann, Michael; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik (2016). Tunable and Efficient White Light Phosphorescent Emission Based on Single Component N-Heterocyclic Carbene Platinum(II) Complexes. Inorganic Chemistry, 55(10):4733-4745.

Holmes-Smith, A Sheila; Crisp, Jacob; Hussain, Firasat; Patzke, Greta R; Hungerford, Graham (2016). Use of Lanthanide-Containing Polyoxometalates to Sensitise the Emission of Fluorescent Labelled Serum Albumin. ChemPhysChem, 17(3):418-424.

Linden, Anthony; Basu Baul, Tushar S (2016). π–π stacking motifs in dialkylbis{5-[(E)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes. Acta Crystallographica. Section C: Structural Chemistry, 72(4):313-325.

2015

Wroblewska, Aneta; Mlostoń, Grzegorz; Heimgartner, Heinz (2015). Synthesis of optically active polyheterocycles containing pyrrolidine, imidazole, and 1,2,3-triazole rings. Tetrahedron: Asymmetry, 26(34):1448-1452.

Nettels, Daniel; Haenni, Dominik; Maillot, Sacha; Gueye, Moussa; Barth, Anders; Hirschfeld, Verena; Hübner, Christian G; Léonard, Jérémie; Schuler, Benjamin (2015). Excited-state annihilation reduces power dependence of single-molecule FRET experiments. Physical Chemistry Chemical Physics (PCCP), 17(48):32304-32315.

Wick, René; Tilley, S David (2015). Photovoltaic and Photoelectrochemical Solar Energy Conversion with Cu2O. Journal of Physical Chemistry C, 119(47):26243-26257.

Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik (2015). Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations. Inorganic Chemistry, 54(22):10748-10760.

Zheng, Wenwei; Borgia, Alessandro; Borgia, Madeleine B; Schuler, Benjamin; Best, Robert B (2015). Empirical Optimization of Interactions between Proteins and Chemical Denaturants in Molecular Simulations. Journal of Chemical Theory and Computation, 11(11):5543-5553.

Blöchliger, Nicolas; Caflisch, Amedeo; Vitalis, Andreas (2015). Weighted distance functions improve analysis of high-dimensional data: application to molecular dynamics simulations. Journal of Chemical Theory and Computation, 11(11):5481-5492.

Mintrop, Luise; Windisch, Johannes; Gotzmann, Carla; Alberto, Roger; Probst, Benjamin; Kurz, Philipp (2015). SnIVMetalloporphyrin/CoIII Complex: An All-Abundant-Element System for the Photocatalytic Production of H2 in Aqueous Solution. Journal of Physical Chemistry B, 119(43):13698-13706.

Hamm, Peter; Stock, Gerhard (2015). Nonadiabatic vibrational dynamics in the HCO$^-_2$⋅H$_2$O complex. Journal of Chemical Physics, 143(13):134308.

Anstaett, Philipp; Pierroz, Vanessa; Ferrari, Stefano; Gasser, Gilles (2015). Two-photon uncageable enzyme inhibitors bearing targeting vectors. Photochemical & Photobiological Sciences, 14(10):1821-1825.

Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K; Tanaka, Hidekazu (2015). Homogeneous SPC/E water nucleation in large molecular dynamics simulations. Journal of Chemical Physics, 143(6):064507.

Schuh, Kirsten; Kleist, Wolfgang; Høj, Martin; Jensen, Anker Degn; Beato, Pablo; Patzke, Greta R; Grunwaldt, Jan-Dierk (2015). Systematic study on the influence of the morphology of α-MoO3 in the selective oxidation of propylene. Journal of Solid State Chemistry, 228:42-52.

Kraack, Jan Philip; Lotti, Davide; Hamm, Peter (2015). 2D attenuated total reflectance infrared spectroscopy reveals ultrafast vibrational dynamics of organic monolayers at metal-liquid interfaces. Journal of Chemical Physics, 142(21):212413.

Cazade, Pierre-André; Tran, Halina; Bereau, Tristan; Das, Akshaya K; Kläsi, Felix; Hamm, Peter; Meuwly, Markus (2015). Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study. Journal of Chemical Physics, 142(21):212415.

Cameron, T Stanley; Grossert, J Stuart; Maheux, Chad R; Alarcon, Idralyn Q; Copeland, Catherine R; Linden, Anthony (2015). Inversion twinning in a second polymorph of the hydrochloride salt of the recreational drug ethylone. Acta Crystallographica. Section C: Structural Chemistry, 71(4):266-270.

Mlostoń, Grzegorz; Urbaniak, Katarzyna; Linden, Anthony; Heimgartner, Heinz (2015). Selenophen-2-yl-substituted thiocarbonyl ylides – at the borderline of dipolar and biradical reactivity. Helvetica Chimica Acta, 98(4):453-461.

Mlostoń, Grzegorz; Pipiak, Paulina; Linden, Anthony; Heimgartner, Heinz (2015). Studies on the reactions of thiocarbonyl s-methanides with hetaryl thioketones. Helvetica Chimica Acta, 98(4):462-473.

Wroblewska, Aneta; Mlostoń, Grzegorz; Heimgartner, Heinz (2015). Synthesis of optically active polycyclic N-heterocycles derived from L-prolinamine. Tetrahedron: Asymmetry, 26(8/9):505-509.

Gálvez, Maria Elena; Jacot, Roger; Scheffe, Jonathan; Cooper, Thomas; Patzke, Greta; Steinfeld, Aldo (2015). Physico-chemical changes in Ca, Sr and Al-doped La–Mn–O perovskites upon thermochemical splitting of CO2 via redox cycling. Physical Chemistry Chemical Physics (PCCP), 17(9):6629-6634.

Yuan, Haifeng; Gaiduk, Alexander; Siekierzycka, Joanna R; Fujiyoshi, Satoru; Matsushita, Michio; Nettels, Daniel; Schuler, Benjamin; Seidel, Claus A M; Orrit, Michel (2015). Temperature-cycle microscopy reveals single-molecule conformational heterogeneity. Physical Chemistry Chemical Physics (PCCP), 17(9):6532-6544.

Wang, Fang; Cao, Kun; Wu, Yi; Patzke, Greta R; Zhou, Ying (2015). Electronic and optical properties of N-doped Bi2O3 polymorphs for visible light-induced photocatalysis. Journal of Molecular Modeling, 21(3):2596-2604.

Pauli, Denise; Bienz, Stefan (2015). Regioselective solid-phase synthesis of N-monohydroxylated and N-mono-methylated acylpolyamine spider toxins using an 2-(orthonitrophenyl)ethanal-modified resin. Organic & Biomolecular Chemistry, 13:4473-4485.

Mlostoń, Grzegorz; Pipiak, Paulina; Linden, Anthony; Heimgartner, Heinz (2015). 1,3-Dipolar Cycloadditions of alpha-Diazo Ketones Derived from N-Protected (S)-Proline with Aromatic and Cycloaliphatic Thioketones. Helvetica Chimica Acta, 98(2):190-200.

Arnhold, Franziska S; Linden, Anthony; Heimgartner, Heinz (2015). Synthesis of Aib- and Phe(2Me)-Containing Cyclopentapeptides. Helvetica Chimica Acta, 98(2):155-178.

Arnhold, Franziska S; Linden, Anthony; Heimgartner, Heinz (2015). Synthesis of Cyclopentapeptides with Three to Five Aib Units. Helvetica Chimica Acta, 98(2):232-244.

Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz (2015). Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties. Organometallics, 34(2):408-418.

Zelder, Felix; Tivana, Lucas (2015). Corrin-based chemosensors for the ASSURED detection of endogenous cyanide. Organic & Biomolecular Chemistry, 13(1):14-17.

Koitz, Ralph; Nørskov, Jens K; Studt, Felix (2015). A systematic study of metal-supported boron nitride materials for the oxygen reduction reaction. Physical Chemistry Chemical Physics (PCCP), 17(19):12722-12727.

Iannuzzi, Marcella (2015). Ar Implantation at the hBN/Rh(111) Nanomesh by ab Initio Molecular Dynamics. Journal of Physical Chemistry C, 119(38):22198-22207.

da Silva, Julio C; Mader, Kevin; Holler, Mirko; Haberthür, David; Diaz, Ana; Guizar-Sicairos, Manuel; Cheng, Wu-Cheng; Shu, Yuying; Raabe, Jörg; Menzel, Andreas; van Bokhoven, Jeroen A (2015). Assessment of the 3 D Pore Structure and Individual Components of Preshaped Catalyst Bodies by X-Ray Imaging. ChemCatChem, 7(3):413-416.

Zoppi, Laura; Martin-Samos, L; Baldridge, Kim K (2015). Buckybowl superatom states: a unique route for electron transport? Physical Chemistry Chemical Physics (PCCP), 17(8):6114-6121.

Koitz, Ralph; Iannuzzi, Marcella; Hutter, Jürg (2015). Building blocks for two-dimensional metal–organic frameworks confined at the air–water interface: an ab initio molecular dynamics study. Journal of Physical Chemistry C, 119(8):4023-4030.

Anstaett, Philipp; Leonidova, Anna; Gasser, Gilles (2015). Caged Phosphate and the Slips and Misses in Determination of Quantum Yields for Ultraviolet-A-Induced Photouncaging. ChemPhysChem, 16:1857-1860.

Linden, Anthony (2015). Chemistry and structure in Acta Crystallographica Section C. Acta Crystallographica. Section C: Structural Chemistry, 71(1):1-2.

Locke, Harald; Herrera, Alberto; Heinemann, Frank W; Linden, Anthony; Frieß, Sibylle; Schmid, Bernhard; Dorta, Romano (2015). Chiral (SO)–N–(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N–H Activation and Selective Sulfoxide Reduction upon Ligand Coordination. Organometallics, 34(10):1925-1931.

Matsui, Fumihiko; Maejima, Naoyuki; Matsui, Hirosuke; Nishikawa, Hiroaki; Daimon, Hiroshi; Matsushita, Tomohiro; Muntwiler, Matthias; Stania, Roland; Greber, Thomas (2015). Circular dichroism in cu resonant auger electron diffraction. Zeitschrift fuer Physikalische Chemie, 230(4):519-535.

Prémont-Schwarz, Mirabelle; Schreck, Simon; Iannuzzi, Marcella; Nibbering, Erik T J; Odelius, Michael; Wernet, Philippe (2015). Correlating infrared and X-ray absorption energies for molecular-level insight into hydrogen bond making and breaking in solution. Journal of Physical Chemistry B, 119(25):8115-8124.

Berstis, Laura; Baldridge, Kim K (2015). DFT-based Green's function pathways model for prediction of bridge-mediated electronic coupling. Physical Chemistry Chemical Physics (PCCP), 17(46):30842-30853.

Patsenker, Eleonora; Sachse, Philip; Chicca, Andrea; Gachet, María Salomé; Schneider, Vreni; Mattsson, Johan; Lanz, Christian; Worni, Mathias; de Gottardi, Andrea; Semmo, Mariam; Hampe, Jochen; Schafmayer, Clemens; Brenneisen, Rudolf; Gertsch, Jürg; Stickel, Felix; Semmo, Nasser (2015). Elevated levels of endocannabinoids in chronic hepatitis C may modulate cellular immune response and hepatic stellate cell activation. International Journal of Molecular Sciences, 16(4):7057-7076.

Meletta, Romana; Müller Herde, Adrienne; Chiotellis, Aristeidis; Isa, Malsor; Rancic, Zoran; Borel, Nicole; Ametamey, Simon; Krämer, Stefanie; Schibli, Roger (2015). Evaluation of the radiolabeled boronic acid-based FAP inhibitor MIP-1232 for atherosclerotic plaque imaging. Molecules, 20(2):2081-2099.

Chen, Yi; Lehto, Erja; Uebelhart, Peter; Linden, Anthony; Hansen, Hans-Jürgen (2015). Excursion to the World of Heptacyclic Compounds Made of Azulenes and Acetylenedicarboxylates. Helvetica Chimica Acta, 98(7):913-937.

Rajendran, Prayanka; Kaufmann, Silvan; Vörös, János; Zenobi-Wong, Marcy; Demkó, László (2015). Femtomolar oligonucleotide detection by a one-step gold nanoparticle-based assay. Colloids and Surfaces. B, Biointerfaces, 135:193-200.

Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost (2015). Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach. Journal of Chemical Physics, 143(10):102803.

Hahn, Konstanze R; Seitsonen, Ari P; Iannuzzi, Marcella; Hutter, Jürg (2015). Functionalization of CeO2(1 1 1) by deposition of small Ni clusters: effects on CO2Adsorption and O vacancy formation. ChemCatChem, 7(4):625-634.

Leonidova, Anna; Anstaett, Philipp; Pierroz, Vanessa; Spingler, Bernhard; Ferrari, Stefano; Gasser, Gilles (2015). Induction of Cytotoxicity through Photo-release of Aminoferrocene. Inorganic Chemistry, 54:9740-9748.

Orlenko, E V; Latychevskaia, T; Evstafev, A V; Orlenko, F E (2015). Invariant time-dependent exchange perturbation theory and its application to the particles collision problem. Theoretical Chemistry Accounts, 134(5):54.

Rodenberg, Alexander; Orazietti, Margherita; Probst, Benjamin; Bachmann, Cyril; Alberto, Roger; Baldridge, Kim K; Hamm, Peter (2015). Mechanism of Photocatalytic Hydrogen Generation by a Polypyridyl-Based Cobalt Catalyst in Aqueous Solution. Inorganic Chemistry, 54(2):646-657.

Gurdal, Yeliz; Luber, Sandra; Hutter, Jürg; Iannuzzi, Marcella (2015). Non-innocent adsorption of Co-pyrphyrin on rutile(110). Physical Chemistry Chemical Physics (PCCP), 17(35):22846-22854.

Daeppen, Christophe; Kaiser, Marcel; Neuburger, Markus; Gademann, Karl (2015). Preparation of Antimalarial Endoperoxides by a Formal [2 + 2 + 2] Cycloaddition. Organic Letters, 17:5420-5423.

Bryk, Taras; Ruocco, G; Scopigno, T; Seitsonen, Ari P (2015). Pressure-induced emergence of unusually high-frequency transverse excitations in a liquid alkali metal: Evidence of two types of collective excitations contributing to the transverse dynamics at high pressures. Journal of Chemical Physics, 143(10):104502.

Ohno, Koichi; Satoh, Hiroko; Iwamoto, Takeaki (2015). Prism-$C_2n$ carbon dimer, trimer, and nano-sheets: a quantum chemical study. Chemical Physics Letters, 633:120-125.

Weinhardt, L; Ertan, E; Iannuzzi, M; Weigand, M; Fuchs, O; Bär, M; Blum, M; Denlinger, J D; Yang, W; Umbach, E; Odelius, M; Heske, C (2015). Probing hydrogen bonding orbitals: resonant inelastic soft X-ray scattering of aqueous NH3. Physical Chemistry Chemical Physics (PCCP), 17(40):27145-27153.

Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost (2015). Probing the structural and dynamical properties of liquid water with models including non-local electron correlation. Journal of Chemical Physics, 143(5):054506.

Garbuio, Viviana; Cascella, Michele; Kupchak, Igor; Pulci, Olivia; Seitsonen, Ari Paavo (2015). Proton disorder in cubic ice: effect on the electronic and optical properties. Journal of Chemical Physics, 143(8):084507.

Dil, J Hugo; Meier, Fabian; Osterwalder, Jürg (2015). Rashba-type spin splitting and spin interference of the Cu(111) surface state at room temperature. Journal of Electron Spectroscopy and Related Phenomena, 201:42-46.

Anstaett, Philipp; Leonidova, Anna; Janett, Elia; Bochet, Christian G; Gasser, Gilles (2015). Reply to the Commentary by Trentham et al. on “Caged Phosphate and the Slips and Misses in Determination of Quantum Yields for Ultraviolet-A-Induced Photouncaging” by Gasser and Co-Workers. ChemPhysChem, 16:1863-1866.

Isert, Nathan; Maret, Georg; Aegerter, Christof M (2015). Studying foam dynamics in levitated, dry and wet foams using diffusing wave spectroscopy. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 473:40-45.

Bader, Samuel L; Luescher, Michael U; Gademann, Karl (2015). Synthesis of maculalactone A and derivatives for environmental fate tracking studies. Organic & Biomolecular Chemistry, 13(1):199-206.

Haag, Philippe A; Steiger-Ronay, Valerie; Schmidlin, Patrick R (2015). The in vitro antimicrobial efficacy of PDT against periodontopathogenic bacteria. International Journal of Molecular Sciences, 16(11):27327-27338.

Carignano, Marcelo A; Kachmar, Ali; Hutter, Jürg (2015). Thermal Effects on $CH_3NH_3PbI_3$ Perovskite from Ab Initio Molecular Dynamics Simulations. Journal of Physical Chemistry C, 119(17):8991-8997.

Kaufmann, Elias; Hattori, Hiromu; Miyatake-Ondozabal, Hideki; Gademann, Karl (2015). Total synthesis of the glycosylated macrolide antibiotic fidaxomicin. Organic Letters, 17(14):3514-3517.

Shalaby, Tarek; Grotzer, Michael (2015). Tumor-Associated CSF MicroRNAs for the prediction and evaluation of CNS malignancies. International Journal of Molecular Sciences, 16(12):29103-29119.

Ohno, Koichi; Satoh, Hiroko; Iwamoto, Takeaki; Tokoyama, Hiroaki; Yamakado, Hideo (2015). Wavy carbon: a new series of carbon structures explored by quantum chemical calculations. Chemical Physics Letters, 639:178-182.

Golze, Dorothea; Hutter, Jürg; Iannuzzi, Marcella (2015). Wetting of water on hexagonal boron nitride@Rh(111): a QM/MM model based on atomic charges derived for nano-structured substrates. Physical Chemistry Chemical Physics (PCCP), 17(22):14307-14316.

Donten, Mateusz L; Hassan, Shabir; Popp, Alexander; Halter, Jonathan; Hauser, Karin; Hamm, Peter (2015). pH-Jump Induced Leucine Zipper Folding beyond the Diffusion Limit. Journal of Physical Chemistry B, 119(4):1425-1432.

2014

Waldauer, Steven A; Stucki-Buchli, Brigitte; Frey, Lukas; Hamm, Peter (2014). Effect of viscogens on the kinetic response of a photoperturbed allosteric protein. Journal of Chemical Physics, 141(22):514.

Buchenberg, Sebastian; Knecht, Volker; Walser, Reto; Hamm, Peter; Stock, Gerhard (2014). Long-Range conformational transition of a photoswitchable allosteric protein: Molecular dynamics simulation study. Journal of Physical Chemistry B, 118(47):13468-13476.

Shalaby, Tarek; Fiaschetti, Giulio; Baumgartner, Martin; Grotzer, Michael A (2014). MicroRNA signatures as biomarkers and therapeutic target for CNS embryonal tumors: the pros and the cons. International Journal of Molecular Sciences, 15(11):21554-21586.

Hamm, Peter (2014). 2D-Raman-THz spectroscopy: A sensitive test of polarizable water models. Journal of Chemical Physics, 141(18):184201.

Meseck, Georg R; Käch, Andres; Seeger, Stefan (2014). Three-dimensional organization of surface-bound silicone nanofilaments revealed by focused ion beam nanotomography. Journal of Physical Chemistry C, 118(43):24967-24975.

Kroes, Jaap M H; Pietrucci, Fabio; Curioni, Alessandro; Andreoni, Wanda (2014). Characterizing and understanding divalent adsorbates on carbon nanotubes with ab initio and classical approaches: size, chirality, and coverage effects. Journal of Chemical Theory and Computation, 10(10):4672-4683.

Marty, Roman; Frauenrath, Holger; Helbing, Jan (2014). Aggregates from Perylene Bisimide Oligopeptides as a Test Case for Giant Vibrational Circular Dichroism. Journal of Physical Chemistry B, 118(38):11152-11160.

Hassan, Shabir; Schade, Marco; Shaw, Christopher P; Lévy, Raphaël; Hamm, Peter (2014). Response of villin headpiece-capped gold nanoparticles to ultrafast laser heating. Journal of Physical Chemistry B, 118(28):7954-7962.

Artus, Georg R J; Seeger, Stefan (2014). One-dimensional silicone nanofilaments. Advances in colloid and interface science, 209:144-162.

Gebert, Andreas; Jasiński, Marcin; Mlostoń, Grzegorz; Heimgartner, Heinz (2014). Reduction of Thiocarbonyl Compounds with Lithium Diisopropylamide. Helvetica Chimica Acta, 97(7):931-938.

Kraack, Jan Philip; Lotti, Davide; Hamm, Peter (2014). Ultrafast, Multidimensional attenuated total reflectance spectroscopy of adsorbates at metal surfaces. Journal of Physical Chemistry Letters, 5(13):2325-2329.

Khoramdareh, Zahra Kalantari; Hosseini-Yazdi, Seyed Abolfazl; Spingler, Bernhard; Khandar, Ali Akbar (2014). Copper(II) and zinc(II) complexes of mono- and tri-linked azacrown macrocycles: Synthesis, characterization, X-ray structure, phosphodiester hydrolysis and DNA cleavage. Inorganica Chimica Acta, 415:7-13.

Tanaka, Kyoko K; Diemand, Jürg; Angélil, Raymond; Tanaka, Hidekazu (2014). Free energy of cluster formation and a new scaling relation for the nucleation rate. Journal of Chemical Physics, 140(19):194310.

Khlebnikov, Alexander F; Konev, Alexander S; Virtsev, Alexander A; Yufit, Dmitri S; Mlostoń, Grzegorz; Heimgartner, Heinz (2014). Concerted vs. Non-Concerted 1,3-Dipolar Cycloadditions of Azomethine Ylides to Electron-Deficient Dialkyl 2,3-Dicyanobut-2-enedioates. Helvetica Chimica Acta, 97:453-470.

Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles (2014). Novel, mercury-free synthetic pathway for trifluoromethylthio-substituted metallocenes. Inorganic Chemistry, 53(7):3662-3667.

Cantoni, Marco; Holzer, Lorenz (2014). Advances in 3D focused ion beam tomography. MRS Bulletin, 39(4):354-360.

Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K; Tanaka, Hidekazu (2014). Properties of liquid clusters in large-scale molecular dynamics nucleation simulations. Journal of Chemical Physics, 140(7):074303.

Grazul, Magdalena; Sigel, Roland K O; Maake, Caroline; Besic-Gyenge, Emina; Lorenz, Ingo-Peter; Mayer, Peter; Czyz, Malgorzata; Budzisz, Elzbieta (2014). Synthesis, structure, physico-chemical and biological properties of metal(II) complexes with 5-amino-8-methyl-4H-benzopyran-4-one. Polyhedron, 67:136-144.

Mlostoń, Grzegorz; Obijalska, Emilia; Celeda, Malgorzata; Mittermeier, Verena; Linden, Anthony; Heimgartner, Heinz (2014). 1,3-Dipolar cycloadditions of fluorinated nitrones with thioketones. Journal of Fluorine Chemistry, 165:27-32.

Hess, Jeannine; Konatschnig, Sandro; Morard, Sanda; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles (2014). A Novel, Mercury-Free Synthetic Pathway for Trifluoromethylthio-Subsituted Metallocenes. Inorganic Chemistry, 53(7):3662-3667.

Bornoz, Pauline; Abdi, Fatwa F; Tilley, S David; Dam, Bernard; van de Krol, Roel; Grätzel, Michael; Sivula, Kevin (2014). A bismuth vanadate–cuprous oxide tandem cell for overall solar water splitting. Journal of Physical Chemistry C, 118(30):16959-16966.

Greif, Michael; Castiglioni, Luca; Becker-Koch, David; Osterwalder, Jürg; Hengsberger, Matthias (2014). Acquisition of photoelectron diffraction patterns with a two-dimensional wide-angle electron analyzer. Journal of Electron Spectroscopy and Related Phenomena, 197:30-36.

Linden, Anthony (2014). Acta Crystallographica Section C in 2014. Acta Crystallographica. Section C, 70(1):1.

Basu Baul, Tushar S; Longkumer, Imliwati; Linden, Anthony (2014). An organomercury enzyme activator as a versatile template for new organomercury(II) compounds encompassing homobimetallic (RHg/Hg) and heterobimetallic (RHg/Cd) compositions: Syntheses, photoluminescence and structures. Journal of Organometallic Chemistry, 761:156-168.

Robinson, J A; Schmartz, Patrick; Zerbe, Katja; Abou-Hadeed, Khaled (2014). Bis-chlorination of a hexapeptide-PCP conjugate by the halogenase involved in vancomycin biosynthesis. Organic & Biomolecular Chemistry, 12(30):5574-5577.

Hutter, Juerg; Iannuzzi, Marcella; Schiffmann, Florian; VandeVondele, Joost (2014). CP2K: Atomistic simulations of condensed matter systems. Wiley Interdisciplinary Reviews. Computational Molecular Science, 4(1):15-25.

Cendula, Peter; Tilley, S David; Gimenez, Sixto; Bisquert, Juan; Schmid, Matthias; Grätzel, Michael; Schumacher, Jürgen O (2014). Calculation of the energy band diagram of a photoelectrochemical water splitting cell. Journal of Physical Chemistry C, 118(51):29599-29607.

Obijalska, Emilia; Kowalski, Marcin K; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (2014). Chemoselective trifluoromethylation of the C=N group of alpha-iminoketones derived from arylglyoxals. Journal of Fluorine Chemistry, 168:151-157.

Aebli, Balz; Männel-Croisé, Christine; Zelder, Felix (2014). Controlling binding dynamics of corrin-based chemosensors for cyanide. Inorganic Chemistry, 53(5):2516-2520.

Batel, Michael; Däpp, Alexander; Hunkeler, Andreas; Meier, Beat H; Kozerke, Sebastian; Ernst, Matthias (2014). Cross-polarization for dissolution dynamic nuclear polarization. Physical Chemistry Chemical Physics (PCCP), 16(39):21407-21416.

Batel, Michael; Däpp, Alexander; Hunkeler, Andreas; Meier, Beat H; Kozerke, Sebastian; Ernst, Matthias (2014). Cross-polarization for dissolution dynamic nuclear polarization. Physical Chemistry Chemical Physics (PCCP), 16(39):21407-21416.

Weisenburger, Siegfried; Jing, Bo; Hänni, Dominik; Reymond, Luc; Schuler, Benjamin; Renn, Alois; Sandoghdar, Vahid (2014). Cryogenic colocalization microscopy for nanometer-distance measurements. ChemPhysChem, 15(4):763-770.

Ursillo, Samer; Can, Daniel; N'Dongo, Harmel W Peindy; Schmutz, Paul; Spingler, Bernhard; Alberto, Roger (2014). Cyclopentadienyl Chemistry in Water: Synthesis and Properties of Bifunctionalized [(η$^5$-C$_5$H$_3${COOR}$_2$)M(CO)$_3$] (M = Re and $^{99m}$Tc) Complexes. Organometallics, 33(23):6945-6952.

Bil, Andrzej; Latajka, Zdzislaw; Hutter, Juerg; Morrison, Carole A (2014). Describing the chemical bonding in C-70 and C70O3 - A quantum chemical topology study. Chemical Physics, 433:22-30.

Schoenherr, Mandes; Slater, Ben; Hutter, Juerg; VandeVondele, Joost (2014). Dielectric properties of water ice, the ice Ih/XI phase transition, and an assessment of density functional theory. Journal of Physical Chemistry B, 118(2):590-596.

Aree, Thammarat; Bürgi, Hans-Beat; Chernyshov, Dmitry; Törnroos, Karl W (2014). Dynamics and thermodynamics of crystalline polymorphs. 3. γ-glycine, analysis of variable-temperature atomic displacement parameters, and comparison of polymorph stabilities. Journal of Physical Chemistry. A, 118(43):9951-9959.

Bil, Andrzej; Hutter, Juerg; Morrison, Carole A (2014). Electron transfer modifies chemical properties of C-70 fullerene surface: An ab initio molecular dynamics study of C70O3 molozonides doped with light atoms. Chemical Physics Letters, 605-606:93-97.

Leung, Anna E; Rubbiani, Riccardo; Gasser, Gilles; Tuck, Kellie L (2014). Enantioselective Total Syntheses of the Proposed Structures of Prevezol B and Evaluation of Anti-Cancer Activity. Organic & Biomolecular Chemistry, 12:8239-8246.

Urgel, Jose I; Ecija, David; Auwaerter, Willi; Papageorgiou, Anthoula C; Seitsonen, Ari P; Vijayaraghavan, Saranyan; Joshi, Sushobhan; Fischer, Sybille; Reichert, Joachim; Barth, Johannes V (2014). Five-Vertex lanthanide coordination on surfaces: A route to sophisticated nanoarchitectures and tessellations. Journal of Physical Chemistry C, 118(24):12908-12915.

Capelli, Silvia C; Bürgi, Hans-Beat; Mason, Sax A; Jayatilaka, Dylan (2014). Glycyl-L-alanine: A multi-temperature neutron study. Acta Crystallographica. Section C: Structural Chemistry, 70(10):949-952.

Adams, Donat J; Chappellet, Sabrina; Lincker, Frederic; Ibn-Elhaj, Mohammed; Watts, Benjamin; Iannuzzi, Marcella; Jung, Dubravka Sisak; Pignedoli, Carlo A; Passerone, Daniele (2014). Identifying Photoreaction Products in Cinnamate-Based Photoalignment Materials. Journal of Physical Chemistry C, 118(28):15422-15433.

Eller, Jens; Roth, Jörg; Marone, Federica; Stampanoni, Marco; Wokaun, Alexander; Büchi, Felix N (2014). Implications of polymer electrolyte fuel cell exposure to synchrotron radiation on gas diffusion layer water distribution. Journal of Power Sources, 245:796-800.

Linden, Anthony; Zhou, Yuehui; Heimgartner, Heinz (2014). Intra- and intermolecular Se...X(X= Se, O) interactions in selenium-containing heterocycles: 3-benzoylimino-5-(morpholin-4-yl)-1,2,4-diselenazole. Acta Crystallographica. Section C, 70(5):482-487.

Véron, Anna C; Zhang, Hui; Linden, Anthony; Nüesch, Frank; Heier, Jakob; Hany, Roland; Geiger, Thomas (2014). NIR-absorbing Heptamethine dyes with tailor-made counterions for application in light to energy conversion. Organic Letters, 16(4):1044-1047.

Luber, Sandra; Iannuzzi, Marcella; Hutter, Jürg (2014). Raman spectra from ab initio molecular dynamics and its application to liquid S-methyloxirane. Journal of Chemical Physics, 141(9):094503.

Shalaby, Tarek; Fiaschetti, Giulio; Baumgartner, Martin; Grotzer, Michael A (2014). Significance and therapeutic value of miRNAs in embryonal neural tumors. Molecules, 19(5):5821-5862.

Iannuzzi, Marcella; Tran, Fabien; Widmer, Roland; Dienel, Thomas; Radican, Kevin; Ding, Yun; Hutter, Jürg; Gröning, Oliver (2014). Site-selective adsorption of phthalocyanine on h-BN/Rh(111) nanomesh. Physical Chemistry Chemical Physics (PCCP), 16(24):12374.

Van, C-T; Zdobinsky, T; Seebohm, G; Nennstiel, D; Zerbe, O; Scherkenbeck, J (2014). Structural Prerequisites for Receptor Binding of Helicokinin I, a Diuretic Insect Neuropeptide from Helicoverpa zea. European Journal of Organic Chemistry, 13:2714-2725.

Varnholt, Birte; Oulevey, Patric; Luber, Sandra; Kumara, Chanaka; Dass, Amala; Buergi, Thomas (2014). Structural information on the Au-S Interface of thiolate-protected gold clusters: A raman spectroscopy study. Journal of Physical Chemistry C, 118(18):9604-9611.

Arnhold, Franziska S; Linden, Anthony; Heimgartner, Heinz (2014). Synthesis of Z-Protected Aib- and Phe(2Me)-Containing Pentapeptides and Their Crystal Structures. Helvetica Chimica Acta, 97(5):619-645.

Nadeem, Qaisar; Can, Daniel; Shen, Yunjun; Felber, Michael; Mahmood, Zaid; Alberto, Roger (2014). Synthesis of tripeptide derivatized cyclopentadienyl complexes of Technetium and Rhenium as radiopharmaceutical probes. Organic & Biomolecular Chemistry, 12(12):1966-1974.

Drinkel, Emma E; Wu, Linglin; Linden, Anthony; Dorta, Reto (2014). Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes. Organometallics, 33(3):627-636.

Basu Baul, Tushar S; Kundu, Sajal; Höpfl, Herbert; Tiekink, Edward R T; Linden, Anthony (2014). Synthesis, structures, and spectroscopic properties of Hg(II) complexes of bidentate NN and tridentate NNO Schiff-base ligands. Journal of Coordination Chemistry, 67(6):1061-1078.

Romanato, Paola; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K; Siegel, Jay S (2014). Through-space interactions in enshroudedm-terphenylsilanes. Journal of Physical Organic Chemistry, 27(4):277-283.

Zhang, Y; Clavadetscher, Jessica; Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik (2014). Tuning the luminescent properties of PT(II) acetylide complexes through varying the electronic properties of N-heterocyclic carbene ligands. Inorganic Chemistry, 53(2):756-771.

Humbert-Droz, Marie; Oulevey, Patric; Lawson Daku, Latévi Max; Luber, Sandra; Hagemann, Hans; Bürgi, Thomas (2014). Where does the Raman optical activity of [Rh(en)3]3+come from? Insight from a combined experimental and theoretical approach. Physical Chemistry Chemical Physics (PCCP), 16(42):23260-23273.

2013

Mlostoń, Grzegorz; Obijalska, Emilia; Ziębacz, Paulia; Matyszewski, Krzysztof; Urbaniak, Katarzyna; Linden, Anthony; Heimgartner, Heinz (2013). Nucleophilic trifluoromethylation of aziridinyl ketones: A convenient access to fluorinated aziridinyl alcohols. Journal of Fluorine Chemistry, 156:192-197.

Scheffe, Jonathan R; Jacot, Roger; Patzke, Greta R; Steinfeld, Aldo (2013). Synthesis, Characterization, and Thermochemical Redox Performance of Hf4+, Zr4+, and Sc3+Doped Ceria for Splitting CO2. Journal of Physical Chemistry C, 117(46):24104-24114.

Shalaby, Tarek; Fiaschetti, Giulio; Nagasawa, Kazuo; Shin-Ya, Kazuo; Baumgartner, Martin; Grotzer, Michael (2013). G-quadruplexes as potential therapeutic targets for embryonal tumors. Molecules, 18(10):12500-12537.

Samartzis, Eleftherios P; Noske, Aurelia; Dedes, Konstantin J; Fink, Daniel; Imesch, Patrick (2013). ARID1A mutations and PI3K/AKT pathway alterations in endometriosis and endometriosis-associated ovarian carcinomas. International Journal of Molecular Sciences, 14(9):18824-18849.

Stoykova, Svetlana A; Linden, Anthony; Heimgartner, Heinz (2013). Highly Constrained Linear Oligopeptides Containing Heterocyclic alpha-Amino Carboxylic Acids. Helvetica Chimica Acta, 96(9):1714-1732.

Diemand, Jürg; Angélil, Raymond; Tanaka, Kyoko K; Tanaka, Hidekazu (2013). Large scale molecular dynamics simulations of homogeneous nucleation. Journal of Chemical Physics, 139(7):074309.

Shi, Jungxing; Linden, Anthony; Heimgartner, Heinz (2013). Reactions of acid Chlorides/Ketenes with 2-substituted 4,5-Dihydro-4,4-dimethyl-1,3-thiazoles: Formation of Penam derivatives. Helvetica Chimica Acta, 96(8):1462-1481.

Nakajima, K; Haruna, T (2013). Symbolic local information transfer. European Physical Journal. Special Topics, 222(2):437-455.

Ali, Korany A; Ragab, Eman A; Mlostoń, Grzegorz; Celeda, Malgorzata; Linden, Anthony; Heimgartner, Heinz (2013). Unexpected reaction course of 3-Amino-5-aryl-1H-pyrazoles with Dialkyl Dicyanofumarates. Helvetica Chimica Acta, 96(4):633-643.

Pieczonka, Adam M; Ciepielowski, Krzysztof; Cebulska, Zofia; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (2013). New selenosemicarbazides derived from imidazole-based carbohydrazides. Helvetica Chimica Acta, 96(3):397-407.

Lee, Myung Won; Carr, Joshua K; Göllner, Michael; Hamm, Peter; Meuwly, Markus (2013). 2D IR spectra of cyanide in water investigated by molecular dynamics simulations. Journal of Chemical Physics, 139(5):054506.

Bachmann, Cyril; Guttentag, Miguel; Spingler, Bernhard; Alberto, Roger (2013). 3d element complexes of pentadentate bipyridine-pyridine-based ligand scaffolds: structures and photocatalytic activities. Inorganic Chemistry, 52(10):6055-6061.

Obijalska, Emilia; Mlostoń, Grzegorz; Utecht, Greta; Heimgartner, Heinz (2013). A new approach to α-(trifluoromethyl)benzyl substituted oxaziridines. Journal of Fluorine Chemistry, 151:7-11.

Farge, Laurent; Andre, Stéphane; Pawlak, Andrzej; Baravian, Christophe; Irvine, Sarah C; Philippe, Adrian-Marie (2013). A study of the deformation-induced whitening phenomenon for cavitating and non-cavitating semicrystalline polymers. Journal of Polymer Science. Part B, Polymer Physics, 51(10):826-841.

AbdAlla, Said; Langer, Andreas; Fu, Xuebin; Quitterer, Ursula (2013). ACE inhibition with Captopril Retards the development of signs of neurodegeneration in an animal model of Alzheimer's disease. International Journal of Molecular Sciences, 14(8):16917-16942.

Car, P-E; Spingler, B; Weyeneth, S; Patscheider, J; Patzke, Greta R (2013). All-inorganic 1D chain-based architecture of a novel dimanganese-substituted Keggin polyoxotungstate. Polyhedron, 52:151-158.

Leonidova, Anna; Joshi, Tanmaya; Nipkow, David; Frei, Angelo; Penner, Johanna-Elena; Konatschnig, Sandro; Patra, Malay; Gasser, Gilles (2013). An environmentally benign and cost-effective synthesis of Aminoferrocene and Aminoruthenocene. Organometallics, 32(6):2037-2040.

Del Ben, Mauro; Schoenherr, Mandes; Hutter, Juerg; VandeVondele, Joost (2013). Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory. Journal of Physical Chemistry Letters, 4(21):3753-3759.

Bogdanova, Anna; Makhro, Asya; Wang, Jue; Lipp, Peter; Kaestner, Lars (2013). Calcium in red blood cells-a perilous balance. International Journal of Molecular Sciences, 14(5):9848-9872.

Totti, Federico; Rajaraman, Gopalan; Iannuzzi, Marcella; Sessoli, Roberta (2013). Computational studies on SAMs of {Mn-6} SMMs on Au(111): Do properties change upon grafting? Journal of Physical Chemistry C, 117(14):7186-7190.

Veron, Anna C; Felber, Michael; Blacque, Olivier; Spingler, Bernhard (2013). Conformational flexibility of palladium BINAP complexes explored by X-ray analyses and DFT studies. Polyhedron, 52(SI):102-105.

Hahn, Konstanze R; Iannuzzi, Marcella; Seitsonen, Ari P; Hutter, Juerg (2013). Coverage Effect of the CO2 Adsorption Mechanisms on CeO2(111) by First Principles Analysis. Journal of Physical Chemistry C, 117(4):1701-1711.

Jiang, Y; Huang, W; Schmalle, H W; Blacque, O; Fox, T; Berke, H (2013). Efficient Lewis Acid Promoted Alkene Hydrogenations Using Dinitrosyl Rhenium(−I) Hydride Catalysts. Organometallics, 32(23):7043-7052.

Khaliullin, Rustam Z; VandeVondele, Joost; Hutter, Juerg (2013). Efficient Linear-Scaling Density Functional Theory for Molecular Systems. Journal of Chemical Theory and Computation, 9(10):4421-4427.

Del Ben, Mauro; Hutter, Juerg; VandeVondele, Joost (2013). Electron correlation in the condensed phase from a resolution of identity approach based on the gaussian and plane waves scheme. Journal of Chemical Theory and Computation, 9(6):2654-2671.

Krishnan, Madhavi (2013). Electrostatic free energy for a confined nanoscale object in a fluid. Journal of Chemical Physics, 138:114906.

Tran, Fabien; Hutter, Juerg (2013). Erratum: Nonlocal van der Waals functionals: The case of rare-gas dimers and solids (vol 138, 204103, 2013). Journal of Chemical Physics, 139(3):039903.

Bako, I; Stirling, A; Seitsonen, A P; Mayer, I (2013). Extracting chemical information from plane wave calculations by a 3D `fuzzy atoms' analysis. Chemical Physics Letters, 563:97-101.

Landmesser, Thomas; Linden, Anthony; Hansen, Hans-Jürgen (2013). From blue Azulenes to blue Heptalenes - new strongly polarized π-convertible heptalenes. Helvetica Chimica Acta, 96(10):1851-1893.

Balasekaran, Samundeeswari Mariappan; Molski, Matthias; Spandl, Johann; Hagenbach, Adelheid; Alberto, Roger; Abram, Ulrich (2013). Hexafluoridotechnetate(IV) Revisited. Inorganic Chemistry, 52(12):7094-7099.

Gomez Diaz, Jaime; Ding, Yun; Koitz, Ralph; Seitsonen, Ari P; Iannuzzi, Marcella; Hutter, Juerg (2013). Hexagonal boron nitride on transition metal surfaces. Theoretical Chemistry Accounts, 132(4):1350.

Kochman, Michal A; Bil, Andrzej; Morrison, Carole A (2013). Hybrid QM/QM simulations of photochemical reactions in the molecular crystal N-salicylidene-2-chloroaniline. Physical Chemistry Chemical Physics (PCCP), 15(26):10803-10816.

Thøgersen, Jan; Réhault, Julien; Odelius, Michael; Ogden, Tom; Jena, Naresh K; Jensen, Svend J Knak; Keiding, Søren R; Helbing, Jan (2013). Hydration dynamics of aqueous nitrate. Journal of Physical Chemistry B, 117(12):3376-3388.

Wan, Xiaoqiong; Freisinger, Eva (2013). Incorporation of sulfide ions into the cadmium(II)-thiolate cluster of Cicer arietinum metallothionein2. Inorganic Chemistry, 52(2):785-792.

Hammons, Joshua A; Davenport, Alison J; et al (2013). Interfacial phenomena during salt layer formation under high rate dissolution conditions. Journal of Physical Chemistry B, 117(22):6724-6732.

Haenni, Dominik; Zosel, Franziska; Reymond, Luc; Nettels, Daniel; Schuler, Benjamin (2013). Intramolecular distances and dynamics from the combined Photon statistics of single-molecule FRET and photoinduced electron transfer. Journal of Physical Chemistry B, 117(42):13015-13028.

Magno, Andrea; Steiner, Sandra; Caflisch, Amedeo (2013). Mechanism ad kinetics of acetyl-lysine binding to bromodomains. Journal of Chemical Theory and Computation, 9(9):4225-4232.

Scherzer-Attali, Roni; Convertino, Marino; Pellarin, Riccardo; Gazit, Ehud; Segal, Daniel; Caflisch, Amedeo (2013). Methylations of Tryptophan-Modified Naphthoquinone affect its inhibitory potential toward Aβ aggregation. Journal of Physical Chemistry B, 117(6):1780-1789.

Kalgin, Igor V; Caflisch, Amedeo; Chekmarev, Sergei F; Karplus, Martin (2013). New Insights into the Folding of a β-Sheet Miniprotein in a Reduced Space of Collective Hydrogen Bond Variables: Application to a Hydrodynamic Analysis of the Folding Flow. Journal of Physical Chemistry B, 117(20):6092-6105.

Tran, Fabien; Hutter, Juerg (2013). Nonlocal van der Waals functionals: The case of rare-gas dimers and solids. Journal of Chemical Physics, 139(3):204103.

Mlostoń, Grzegorz; Wroblewska, Aneta; Obijalska, Emilia; Heimgartner, Heinz (2013). Optically active imidazole N-oxides derived from L-prolinamine. Tetrahedron: Asymmetry, 24(15-16):958-965.

Gyenge, Emina Besic; Lüscher, Daniel; Forny, Patrick; Antoniol, Martina; Geisberger, Georg; Walt, Heinrich; Patzke, Greta R; Maake, Caroline (2013). Photodynamic mechanisms induced by a combination of hypericin and a chlorin based-photosensitizer in head and neck squamous cell carcinoma cells. Photochemistry and Photobiology, 89(1):150-162.

Lüscher, Daniel Andreas. Photodynamic mechanisms induced by a combination of hypericin and a chlorin based-photosensitizer in head and neck squamous cell carcinoma cells. 2013, University of Zurich, Faculty of Medicine.

Zhang, Junping; Seeger, Stefan (2013). Silica/Silicone nanofilament hybrid coatings with almost perfect superhydrophobicity. ChemPhysChem, 14(8):1646-1651.

Golze, Dorothea; Iannuzzi, Marcella; Nguyen, Manh-Thuong; Passerone, Daniele; Hutter, Juerg (2013). Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach. Journal of Chemical Theory and Computation, 9(11):5086-5097.

Hofmann, Hagen; Nettels, Daniel; Schuler, Benjamin (2013). Single-molecule spectroscopy of the unexpected collapse of an unfolded protein at low pH. Journal of Chemical Physics, 139(12):121930.

Tarasava, K; Johannsen, S; Freisinger, E (2013). Solution structure of the circular γ-domain analog from the wheat metallothionein Ec-1. Molecules, 18:14414-14429.

Luber, Sandra (2013). Solvent effects in calculated vibrational raman optical activity spectra of alpha-Helices. Journal of Physical Chemistry. A, 117(13):2760-2770.

Maillefer-El Houar, Sarah; Uebelhart, Peter; Linden, Anthony; Hansen, Hans-Jürgen (2013). Synthesis and characterization of new Heptalenes with extended π-systems attached to them. Helvetica Chimica Acta, 96(8):1488-1541.

Botov, Svetlana; Stamellou, Eleni; Romanski, Steffen; Guttentag, Miguel; Alberto, Roger; Neudoerfl, Joerg-Martin; Yard, Benito; Schmalz, Hans-Guenther (2013). Synthesis and performance of Acyloxy-diene-Fe(CO)(3) complexes with variable chain lengths as enzyme-triggered carbon monoxide-releasing molecules. Organometallics, 32(13):3587-3594.

Mata, Guillaume; Luedtke, Nathan W (2013). Synthesis and solvatochromic fluorescence of biaryl pyrimidine nucleosides. Organic Letters, 15(10):2462-2465.

Basu Baul, Tushar S; Mizar, Archana; Eng, George; Far, Rowan; Linden, Anthony (2013). Synthesis and structural studies of dimethyltin(IV) 5-[(E)-2-(aryl)-1-diazenyl)quinolin-8-olates. Journal of Coordination Chemistry, 66(5):813-825.

Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles (2013). Synthesis of Ferrocenyl and Ruthenocenyl Thioamide derivatives using a single-step three-component reaction. Organometallics, 32(20):6098-6105.

Oetterli, René M; Prieto, Lucas; Spingler, Bernhard; Zelder, Felix (2013). Synthesis of a B ring opened 7,8-seco-Vitamin B12Derivative with Grob fragmentation. Organic Letters, 15(18):4630-4633.

Basu Baul, Tushar S; Kundu, Sajal; Höpfl, Herbert; Tiekink, Edward R T; Linden, Anthony (2013). Synthesis, crystal structures and optical properties of mercury(II) halide compounds with (E)-N-(pyridin-2-ylmethylidene)arylamines: Effect of ligand R-group upon structure. Polyhedron, 55:270-282.

Mahmood, A; Akgun, Z; Peng, Y; Müller, P; Jiang, Y; Berke, H; Jones, A G; Nicholson, T (2013). The synthesis and characterization of rhenium nitrosyl complexes. The X-ray crystal structures of [ReBr2(NO)(NCMe)3], [Re(NO)(N5)](BPh4)2] and [ReBr2(NO)(NCMe){py-CH2-NH∼CH2CH2-N(CH2-py)2}]. Inorganica Chimica Acta, 405:455-460.

Nikolaev, Valerij A; Supurgibekov, Murat B; Haiges, Ralf; Linden, Anthony; Prakash, G K Surya (2013). Thermolysis of trifluoromethyl-containing vinyldiazocarbonyl compounds and X-ray crystal structure analysis of unexpected reaction products. Journal of Fluorine Chemistry, 156:322-326.

Perakis, Fivos; Borek, Joanna A; Hamm, Peter (2013). Three-dimensional infrared spectroscopy of isotope-diluted ice Ih. Journal of Chemical Physics, 139(1):014501.

Yildirim, Handan; Greber, Thomas; Kara, Abdelkader (2013). Trends in adsorption characteristics of benzene on transition metal surfaces: Role of surface chemistry and van der Waals interactions. Journal of Physical Chemistry C, 117(40):20572-20583.

Shalit, Andrey; Perakis, Fivos; Hamm, Peter (2013). Two-dimensional infrared spectroscopy of isotope-diluted low density amorphous ice. Journal of Physical Chemistry B, 117(49):15512-15518.

Tran, Mai Thanh Quynh; Furger, Evelyne; Alberto, Roger (2013). Two-step activation prodrugs: transplatin mediated binding of chemotherapeutic agents to vitamin B-12. Organic & Biomolecular Chemistry, 11(19):3247-3254.

Hamm, Peter; Stock, Gerhard (2013). Vibrational conical intersections in the water dimer. Molecular Physics, 111(14-15):2046-2056.

Donten, Mateusz L; Hamm, Peter (2013). pH-jump induced α-helix folding of poly-l-glutamic acid. Chemical Physics, 422:124-130.

2012

Storey, James William (2012). Towards the production of an ultra cold antihydrogen beam with the AEGIS apparatus. Hyperfine Interactions, 212(1-3):109-116.

Huber, Wilhelm; Broehler, Philip; Waetjen, Wim; Frank, Walter; Spingler, Bernhard; Kunz, Peter C (2012). Cytotoxicity of ruthenium(II) piano-stool complexes with imidazole-based PN ligands. Journal of Organometallic Chemistry, 717:187-194.

Prada-Gracia, Diego; Shevchuk, Roman; Hamm, Peter; Rao, Francesco (2012). Towards a microscopic description of the free-energy landscape of water. Journal of Chemical Physics, 137(14):144504.

Borek, Joanna; Perakis, Fivos; Kläsi, Felix; Garrett-Roe, Sean; Hamm, Peter (2012). Erratum: “Azide–water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy” [J. Chem. Phys. 136, 224503 (2012)]. Journal of Chemical Physics, 137(6):069902.

Stoykova, Svetlana A; Linden, Anthony; Heimgartner, Heinz (2012). Synthesis of Aib-Pro Oligopeptides by repeated Azirine coupling with the Aib-Pro synthon. Helvetica Chimica Acta, 95(8):1325-1350.

Zoppi, Laura; Siegel, Jay S; Baldridge, Kim K (2012). Electron transport and optical properties of curved aromatics. Wiley Interdisciplinary Reviews: Computational Molecular Science, 3(1):1-12.

Hutter, Juerg (2012). Car-Parrinello molecular dynamics. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2(4):604-612.

Puglisi, Alessandra; Benaglia, Maurizio; Annunziata, Rita; Siegel, Jay S (2012). Immobilization of Chiral Bifunctional Organocatalysts on Poly(methylhydrosiloxane). ChemCatChem, 4(7):972-975.

Abramson, Rebecca; Baldridge, Kim K (2012). Defined-sector explicit solvent in the continuum model approach for computational prediction of pKa. Molecular Physics, 110(19-20):2401-2412.

Huber, Sabrina M; Seyfried, Martin S; Linden, Anthony; Luedtke, Nathan W (2012). Excitonic luminescence of hemiporphyrazines. Inorganic chemistry, 51(13):7032-7038.

Borek, Joanna; Perakis, Fivos; Kläsi, Felix; Garrett-Roe, Sean; Hamm, Peter (2012). Azide–water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy. Journal of Chemical Physics, 136(22):224503.

Gebert, Andreas; Barth, Max; Linden, Anthony; Widmer, Ulrich; Heimgartner, Heinz (2012). Novel Synthesis of 2-Alkylquinolizinium-1-olates and their 1,3-Dipolar Cycloaddition reactions with Acetylenes. Helvetica Chimica Acta, 95(5):737-760.

Pensado, Alfonso S; Brehm, Martin; Thar, Jens; Seitsonen, Ari P; Kirchner, Barbara (2012). Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate. ChemPhysChem, 13(7, SI):1845-1853.

Cheng, Jun; Sulpizi, Marialore; VandeVondele, Joost; Sprik, Michiel (2012). Hole Localization and Thermochemistry of Oxidative Dehydrogenation of Aqueous Rutile TiO2(110). ChemCatChem, 4(5):636-640.

Mlostoń, G; Urbaniak, K; Wojciechowska, A; Linden, Anthony; Heimgartner, H (2012). Unexpected course of the reaction of 2-Unsubstituted 1H-Imidazole 3-Oxides with Ethyl Acrylate. Helvetica Chimica Acta, 95(4):577-585.

Hamm, Peter; Savolainen, Janne (2012). Two-dimensional-Raman-terahertz spectroscopy of water: Theory. Journal of Chemical Physics, 136(9):094516.

Pieczonka, A M; Mlostoń, G; Heimgartner, H (2012). Synthesis of Bis-Heterocyclic 1H-Imidazole 3-Oxides from 3-Oxido-1H-imidazole-4-carbohydrazides. Helvetica Chimica Acta, 95(3):404-414.

VandeVondele, Joost; Troester, Philipp; Tavan, Paul; Mathias, Gerald (2012). Vibrational Spectra of Phosphate Ions in Aqueous Solution Probed by First-Principles Molecular Dynamics. Journal of Physical Chemistry. A, 116(10):2466-2474.

Butterfield, Anna M; Gilomen, Bruno; Siegel, Jay S (2012). Kilogram-Scale Production of Corannulene. Organic Process Research and Development, 16(4):664-676.

Kuhn, Christoph (2012). An information-carrying and knowledge-producing molecular machine. A Monte-Carlo simulation. Journal of Molecular Modeling, 18(2):607-609.

Zobi, Fabio; Spingler, Bernhard (2012). Post-Protein-Binding Reactivity and Modifications of the fac-Re(CO)(3)](+) Core. Inorganic Chemistry, 51(3):1210-1212.

Reidy, Kerstin; Campanile, Carmen; Muff, Roman; Born, Walter; Fuchs, Bruno (2012). mTHPC-mediated photodynamic therapy is effective in the metastatic human 143B osteosarcoma cells. Photochemistry and Photobiology, 88(3):721-727.

Tsuchiizu, Masahisa; Omori, Yukiko; Suzumura, Yoshikazu; Bonnet, Marie-Laure; Robert, Vincent (2012). Ab initio derivation of multi-orbital extended Hubbard model for molecular crystals. Journal of Chemical Physics, 136(4):044519.

Valles-Pardo, Jose Luis; Guijt, Marieke C; Iannuzzi, Marcella; Joya, Khurram S; de Groot, Huub J M; Buda, Francesco (2012). Ab initio molecular dynamics study of water oxidation reaction pathways in Mono-Ru catalysts. ChemPhysChem, 13(1):140-146.

Da Pieve, Chiara; Spingler, Bernhard (2012). Nickel and cobalt complexes of 15,15-disubstituted 1,4,7,10,13-pentaazacyclohexadecane-14,16-dione ligands. Inorganica Chimica Acta, 380:230-235.

Kunz, Peter C; Thiel, Indre; Noffke, Anna Louisa; Reiss, Guido J; Mohr, Fabian; Spingler, Bernhard (2012). Ruthenium piano-stool complexes bearing imidazole-based PN ligands. Journal of Organometallic Chemistry, 697(1):33-40.

Vitalis, Andreas; Caflisch, Amedeo (2012). 50 Years of Lifson–Roig Models: Application to Molecular Simulation Data. Journal of Chemical Theory and Computation, 8(1):363-373.

Abou-Hadeed, Khaled; Molnar, Zoltàn A; Göksaltık, Pinar; Kunz, Roland W; Linden, Anthony; Hansen, Hans-Jürgen (2012). A new alkylation method for heptalene-4,5-dicarboxylates and of one of their pseudoester forms. Helvetica Chimica Acta, 95(6):885-921.

Erat, M C; Coles, J; Finazzo, C; Knobloch, B; Sigel, Roland K O (2012). Accurate analysis of Mg2+ binding to RNA: From classical methods to a novel iterative calculation procedure. Coordination Chemistry Reviews, 256(1-2):279-288.

Bosshard, Matthias; Markkanen, Enni; van Loon, Barbara (2012). Base excision repair in physiology and pathology of the central nervous system. International Journal of Molecular Sciences, 13(12):16172-16222.

Braband, Henrik; Imstepf, Sebastian; Benz, Michael; Spingler, Bernhard; Alberto, Roger (2012). Combining bifunctional chelator with (3+2)-Cycloaddition approaches: Synthesis of dual-function technetium complexes. Inorganic chemistry, 51(7):4051-4057.

Nettels, Daniel; Hoffmann, Armin; Schuler, Benjamin (2012). Correction to "Unfolded Protein and Peptide Dynamics Investigated with Single-Molecule FRET and Correlation Spectroscopy from Picoseconds to Seconds". Journal of Physical Chemistry B, 112:6137-6146.

Sulieman, Samer; Can, Daniel; Mertens, John; N'Dongo, Harmel W Peindy; Liu, Yu; Schmutz, Paul; Bauwens, Matthias; Spingler, Bernhard; Alberto, Roger (2012). Cyclopentadienyl-Based Amino Acids (Cp-aa) As Phenylalanine Analogues for Tumor Targeting: Syntheses and Biological Properties of (Cp-aa)M(CO)(3)](M = Mn, Re, Tc-99m). Organometallics, 31(19):6880-6886.

Batel, Michael; Krajewski, Marcin; Däpp, Alexander; Hunkeler, Andreas; Meier, Beat H; Kozerke, Sebastian; Ernst, Matthias (2012). Dissolution dynamic nuclear polarization efficiency enhanced by Hartmann–Hahn cross polarization. Chemical Physics Letters, 554:72-76.

Vitalis, Andreas; Caflisch, Amedeo (2012). Efficient Construction of Mesostate Networks from Molecular Dynamics Trajectories. Journal of Chemical Theory and Computation, 8(3):1108-1120.

Joshi, Tanmaya; Barbante, Gregory J; Francis, Paul S; Hogan, Conor F; Bond, Alan M; Gasser, Gilles; Spiccia, Leone (2012). Electrochemiluminescent monomers for solid support syntheses of Ru(II) PNA bioconjugates - multimodal biosensing tools with enhanced duplex stability. Inorganic chemistry, 51:3302-3315.

Müller, Kathrin; Seitsonen, Ari P; Brugger, Thomas; Westover, James; Greber, Thomas; Jung, Thomas; Kara, Abdelkader (2012). Electronic structure of an organic/metal interface: Pentacene/Cu(110). Journal of Physical Chemistry C, 116(44):23465-23471.

Dudle, Balz; Blacque, Olivier; Berke, Heinz (2012). Ethylene reactions of a ReH(eta(2)-BH4)(NO)(PPh3)(2)] complex: reductive elimination of ethane and oxidative coupling to butadiene. Organometallics, 31(5):1832-1839.

Salanne, Mathieu; Siqueira, Leonardo J A; Seitsonen, Ari P; Madden, Paul A; Kirchner, Barbara (2012). From molten salts to room temperature ionic liquids: Simulation studies on chloroaluminate systems. Faraday Discussions, 154:171-188.

Van den Hofen, J; Helbing, D; Pedreschi, D; Domingo-Ferrer, J; Gianotti, F; Christen, M (2012). FuturICT - The road towards ethical ICT. The European Physical Journal. Special Topics, 214(1):153-181.

Huang, Danzhi; Caflisch, Amedeo (2012). How Does Darunavir Prevent HIV-1 Protease Dimerization? Journal of Chemical Theory and Computation, 8(5):1786-1794.

Radhakrishnan, Aditya; Vitalis, Andreas; Mao, Albert H; Steffen, Adam T; Pappu, Rohit V (2012). Improved atomistic Monte Carlo simulations demonstrate that poly-L-proline adopts heterogeneous ensembles of conformations of semi-rigid segments interrupted by kinks. Journal of Physical Chemistry B, 116(23):6862-6871.

Romanski, Steffen; Ruecker, Hannelore; Stamellou, Eleni; Guttentag, Miguel; Neudoerfl, Joerg-Martin; Alberto, Roger; Amslinger, Sabine; Yard, Benito; Schmalz, Hans-Guenther (2012). Iron Dienylphosphate Tricarbonyl complexes as water-soluble enzyme-triggered CO-releasing molecules (ET-CORMs). Organometallics, 31(16):5800-5809.

Bloem, Robbert; Koziol, Klemens; Waldauer, Steven A; Buchli, Brigitte; Walser, Reto; Samatanga, Brighton; Jelesarov, Ilian; Hamm, Peter (2012). Ligand Binding Studied by 2D IR Spectroscopy Using the Azidohomoalanine Label. Journal of Physical Chemistry B, 116(46):13705-13712.

VandeVondele, J; Borštnik, U; Hutter, J (2012). Linear scaling self-consistent field calculations with millions of atoms in the condensed phase. Journal of Chemical Theory and Computation, 8(10):3565-3573.

Bonnet, M L; Iannuzzi, M; Sebastiani, D; Hutter, J (2012). Local disorder in lithium imide from density functional simulation and NMR spectroscopy. Journal of Physical Chemistry C, 116(35):18577-18583.

Arras, Emmanuel; Seitsonen, Ari Paavo; Klappenberger, Florian; Barth, Johannes V (2012). Nature of the attractive interaction between proton acceptors and organic ring systems. Physical Chemistry Chemical Physics (PCCP), 14(46):15995-16001.

Pieczonka, Adam M; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (2012). New Optically Active Bis-Heterocycles Derived from (S)-Proline. Helvetica Chimica Acta, 95(9):1521-1530.

Hamm, Peter; Savolainen, Janne; Ono, Junichi; Tanimura, Yoshitaka (2012). Note: Inverted time-ordering in two-dimensional-Raman-terahertz spectroscopy of water. Journal of Chemical Physics, 136(23):236101.

Zoppi, Laura; Bauert, Tobias; Siegel, Jay S; Baldridge, Kim K; Ernst, K-H (2012). Pentagonal tiling with buckybowls: pentamethylcorannulene on Cu(111). Physical Chemistry Chemical Physics (PCCP), 14(38):13365-13369.

Waldauer, Steven A; Hassan, Shabir; Paoli, Beatrice; Donaldson, Paul M; Pfister, Rolf; Hamm, Peter; Caflisch, Amedeo; Pellarin, Riccardo (2012). Photocontrol of reversible amyloid formation with a minimal-design peptide. Journal of Physical Chemistry B, 116(30):8961-8973.

Ma, Jianqiang; Wilhelm, Michael J; Smith, Jonathan M; Dai, Hai-Lung (2012). Photolysis (193 nm) of SO2: nascent product energy distribution examined through IR emission. Journal of Physical Chemistry. A, 116(1):166-173.

Wagnière, Georges H (2012). Polarization-independent magnetic control of the light phase in a chiral optical fiber. Optics Communications, 285(21-22):4344-4346.

Mader, Kevin; Mokso, Rajmund; Raufaste, Christophe; Dollet, Benjamin; Santucci, Stéphane; Lambert, Jérôme; Stampanoni, Marco (2012). Quantitative 3D characterization of cellular materials: Segmentation and morphology of foam. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 415:230-238.

Patra, Malay; Gasser, Gilles; Wenzel, Michaela; Merz, Klaus; Bandow, Julia E; Metzler-Nolte, Nils (2012). Sandwich and half-sandwich derivatives of Platensimycin: synthesis and biological evaluation. Organometallics:5760-5771.

Del Ben, Mauro; Hutter, Juerg; VandeVondele, Joost (2012). Second-order moller-plesset perturbation theory in the condensed phase: an efficient and massively parallel gaussian and plane waves approach. Journal of Chemical Theory and Computation, 8(11):4177-4188.

Helbing, J (2012). Spin state transitions upon visible and infrared excitation of ferric MbN3. Chemical Physics, 396:17-22.

Lin, I-Chun; Seitsonen, Ari P; Tavernelli, Ivano; Rothlisberger, Ursula (2012). Structure and dynamics of liquid water from ab initio molecular dynamics-comparison of BLYP, PBE, and revPBE density functionals with and without van der Waals corrections. Journal of Chemical Theory and Computation, 8(10):3902-3910.

Mlostoń, Grzegorz; Pieczonka, Adam M; Wroblewska, Aneta; Linden, Anthony; Heimgartner, Heinz (2012). Studies on the synthesis and some reactions of (S)-proline hydrazides. Tetrahedron: Asymmetry, 23:795-801.

Mattarella, Martin; Siegel, Jay S (2012). Sym-(CH2X)5-corannulenes: molecular pentapods displaying functional group and bioconjugate appendages. Organic & Biomolecular Chemistry, 10(30):5799-5802.

Liu, Jingjing; Vieille-Petit, L; Linden, Anthony; Luan, X; Dorta, R (2012). Synthesis and structural characterization of LiI, ZnII, CdII, and HgII complexes containing a fluorinated β-diketiminate ligand. Journal of Organometallic Chemistry, 719:80-86.

Basu Baul, T S; Paul, A; Linden, Anthony (2012). Synthesis, characterization and crystal structures of 2-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)-1-diazenyl]benzoic acid and its polymeric and monomeric triorganotin(IV) complexes. Journal of Organometallic Chemistry, 696(26):4229-4235.

Yang, Xianghua; Fox, Thomas; Berke, Heinz (2012). Synthetic and mechanistic studies of metal-free transfer hydrogenations applying polarized olefins as hydrogen acceptors and amine borane adducts as hydrogen donors. Organic Communications, 10(4):852-860.

Kontic, R; Patzke, Greta R (2012). Synthetic trends for BiVO4 photocatalysts: Molybdenum substitution vs. TiO2 and SnO2 heterojunctions. Journal of Solid State Chemistry, 189:38-48.

Winterflood, Christian M; Ruckstuhl, Thomas; Reynolds, Nicholas P; Seeger, Stefan (2012). Tackling Sample-Related Artifacts in Membrane FCS Using Parallel SAF and UAF Detection. ChemPhysChem, 13(16):3655-3660.

Helbing, Jan; Devereux, Michael; Nienhaus, Karin; Nienhaus, G Ulrich; Hamm, Peter; Meuwly, Markus (2012). Temperature dependence of the heat diffusivity of proteins. Journal of Physical Chemistry A, 116(11):2620-2628.

Schade, Marco; Hamm, Peter (2012). Transition from IVR limited vibrational energy transport to bulk heat transport. Chemical Physics, 393(1):46-50.

Perakis, Fivos; Hamm, Peter (2012). Two-dimensional infrared spectroscopy of neat ice Ih. Physical Chemistry Chemical Physics (PCCP), 14(18):6250-6256.

Scalco, Riccardo; Caflisch, Amedeo (2012). Ultrametricity in Protein Folding Dynamics. Journal of Chemical Theory and Computation, 8(5):1580-1588.

Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano (2012). “Chiral-at-Metal” Hemilabile Nickel complexes with a latent d10-ML2Configuration: Receiving substrates with open arms. Organometallics, 31(17):6162-6171.

2011

Marsalek, O; Elles, C G; Pieniazek, P A; Pluharova, E; VandeVondele, J; Bradforth, S E; Jungwirth, P (2011). Chasing charge localization and chemical reactivity following photoionization in liquid water. Journal of Chemical Physics, 135(22):224510.

Mlostoń, G; Pieczonka, A M; Kowalczyk, E; Linden, Anthony; Heimgartner, H (2011). Synthesis and selected reactions of hydrazides containing an imidazole moiety. Helvetica Chimica Acta, 94(10):1764-1777.

Jonchiere, R; Seitsonen, A P; Ferlat, G; Saitta, A M; Vuilleumier, R (2011). Van der Waals effects in ab initio water at ambient and supercritical conditions. Journal of Chemical Physics, 135(15):154503.

Zhou, Y; Linden, Anthony; Heimgartner, H (2011). Reactions of Imidoyl Isoselenocyanates with Aromatic 2-Amino N-Heterocycles and 1-Methyl-1H-imidazole. Helvetica Chimica Acta, 94(9):1575-1585.

Wetzel, C; Kunz, P C; Thiel, I; Spingler, B (2011). Gold(I) Catalysts with Bifunctional P, N Ligands. Inorganic Chemistry, 50(16):7863-7870.

Bonnet, M L; Tognetti, V (2011). The influence of density functional approximations on the description of LiH + NH(3) -> LiNH(2) + H(2) reaction. Chemical Physics Letters, 511(4-6):427-433.

Ding, Y; Iannuzzi, M; Hutter, J (2011). Investigation of Boron Nitride Nanomesh Interacting with Water. Journal of Physical Chemistry C, 115(28):13685-13692.

Dudle, B; Rajesh, K; Blacque, O; Berke, H (2011). Rhenium Nitrosyl complexes bearing large-bite-angle diphosphines. Organometallics, 30(11):2986-2992.

Garg, J A; Blacque, O; Venkatesan, K (2011). Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes. Inorganic Chemistry, 50(12):5430-5441.

Dong, H; Berke, H (2011). A mild and efficient rhenium-catalyzed transfer hydrogenation of terminal olefins using alcoholysis of amine-borane adducts as a reducing system. Journal of Organometallic Chemistry, 696(9):1803-1808.

Jiang, C; Blacque, O; Fox, T; Berke, H (2011). Heterolytic Cleavage of H(2) by Frustrated B/N Lewis Pairs. Organometallics, 30(8):2117-2124.

Rehault, J; Zanirato, V; Olivucci, M; Helbing, J (2011). Linear dichroism amplification: Adapting a long-known technique for ultrasensitive femtosecond IR spectroscopy. Journal of Chemical Physics, 134(12):124516.

Noffke, A L; Bongartz, M; Wätjen, W; Böhler, P; Spingler, B; Kunz, P C (2011). Synthesis, X-ray crystal structure and cytotoxicity of a new tetranuclear ruthenium arene complex. Journal of Organometallic Chemistry, 696(5):1096-1101.

Thipyapong, K; Uehara, T; Tooyama, Y; Braband, H; Alberto, R; Arano, Y (2011). Insight into Technetium Amidoxime Complex: Oxo Technetium(V) Complex of N-Substituted Benzamidoxime as New Basic Structure for Molecular Imaging. Inorganic Chemistry, 50(3):992-998.

Zhang, Y; Garg, J A; Michelin, C; Fox, T; Blacque, O; Venkatesan, K (2011). Synthesis and luminescent properties of cis bis-n-heterocyclic carbene platinum(II) bis-arylacetylide complexes. Inorganic Chemistry, 50(4):1220-1228.

Zhou, Y; Zheng, K; Grunwaldt, J D; Fox, T; Gu, L; Mo, X; Chen, G; Patzke, Greta R (2011). W/Mo-Oxide nanomaterials: structure-property relationships and ammonia-sensing studies. Journal of Physical Chemistry. C, 115(4):1134-1142.

Hussain, F; Sandriesser, S; Speldrich, M; Patzke, Greta R (2011). A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: {Ln(CH(3)COO)GeW(11)O(39)(H(2)O)}(2)](12-) {Ln = Eu(III), Tb(III), Dy(III), Tm(III), and Yb(III)}. Journal of Solid State Chemistry, 184(1):214-219.

Heimgartner, H; Linden, Anthony; Mekhael, M K G (2011). Reactions with 4-Hydroxy-2-methylbutananilides – unexpected formation of a cyclopropanecarboxamide. Helvetica Chimica Acta, 94(1):28-37.

Baarman, K; VandeVondele, J (2011). A comparison of accelerators for direct energy minimization in electronic structure calculations. Journal of Chemical Physics, 134(24):244104.

Donten, M L; Hamm, P; VandeVondele, J (2011). A consistent picture of the proton release mechanism of oNBA in water by ultrafast spectroscopy and ab initio molecular dynamics. Journal of Physical Chemistry. B, 115(5):1075-1083.

Ramaswamy, Rajesh; Sbalzarini, Ivo F (2011). A partial-propensity formulation of the stochastic simulation algorithm for chemical reaction networks with delays. Journal of Chemical Physics, 134(1):014106.

Mlostoń, Grzegorz; Jasiński, M; Heimgartner, H (2011). A straigthforward access to (imidazol-2-yl)acetates by reaction of 2-unsubstituted imidazole 3-oxides with dimethyl acetylenedicarboxylate. European Journal of Organic Chemistry, 2011(13):2542-2547.

Wagnière, G H; Rikken, G L J A (2011). Chirality and magnetism II: Free electron on an infinite helix, inverse Faraday effect and inverse magnetochiral effect. Chemical Physics Letters, 502(1-3):126-129.

Zheng, W; Qi, B; Rohrdanz, M A; Caflisch, A; Dinner, A R; Clementi, C (2011). Delineation of folding pathways of a β-sheet miniprotein. Journal of Physical Chemistry. B, 115(44):13065-13074.

Del Ben, M; Havenith, R W A; Broer, R; Stener, M (2011). Density functional study on the morphology and photoabsorption of CdSe nanoclusters. Journal of Physical Chemistry C, 115(34):16782-16796.

Calzaferri, G; Méallet-Renault, R; Brühwiler, D; Pansu, R; Dolamic, I; Dienel, T; Adler, P; Li, H; Kunzmann, A (2011). Designing dye–nanochannel antenna hybrid materials for light harvesting, transport and trapping. ChemPhysChem, 12(3):580-594.

Scalco, R; Caflisch, A (2011). Equilibrium distribution from distributed computing (simulations of protein folding). Journal of Physical Chemistry. B, 115(19):6358-6365.

Ramaswamy, Rajesh; Sbalzarini, Ivo F (2011). Exact on-lattice stochastic reaction-diffusion simulations using partial-propensity methods. Journal of Chemical Physics, 135(24):244103.

Matyus, E; Hutter, J; Muller-Herold, U; Reiher, M (2011). Extracting elements of molecular structure from the all-particle wave function. Journal of Chemical Physics, 135(20):204302.

Thipyapong, K; Uehara, T; Tooyama, Y; Braband, H; Alberto, R (2011). Insights into technetium amidoxime complex: oxo technetium(V) complex of n-substituted benzamidoxime as new basic structure for molecular imaging. Inorganic Chemistry, 50(3):992-998.

Rogano, F; Stojnic, D; Linden, Anthony; Abou-Hadeed, K; Hansen, H J (2011). Introduction of adjacent oxygen-functionalities in Dimethyl Heptalenedicarboxylates. Helvetica Chimica Acta, 94(7):1194-1215.

Ni, L; Hussain, F; Spingler, B; Weyeneth, S; Patzke, Greta R (2011). Lanthanoid-containing open wells–Dawson silicotungstates: Synthesis, crystal structures, and properties. Inorganic Chemistry, 50(11):4944-4955.

Bauert, T; Zoppi, L; Koller, G; Garcia, A; Baldridge, K K; Ernst, K H (2011). Large induced interface dipole moments without charge transfer: Buckybowls on metal surfaces. Journal of Physical Chemistry Letters, 2(21):2805-2809.

Li, Qiang; Seeger, Stefan (2011). Multidonor Deep-UV FRET study of Protein–Ligand binding and its potential to obtain structure information. Journal of Physical Chemistry B, 115(46):13643-13649.

Mlostoń, Grzegorz; Obijalska, E; Heimgartner, H (2011). New β-amino-α-trifluoromethyl alcohols and their exploration in the synthesis of trifluoromethylated imidazole derivatives. Journal of Fluorine Chemistry, 132(11):951-955.

Mlostoń, Grzegorz; Rygielska, D; Jasiński, M; Heimgartner, H (2011). Optically active imidazoles derived from enantiomerically pure trans-1,2-diaminocyclohexane. Tetrahedron: Asymmetry, 22(6):669-674.

Probst, B; Guttentag, M; Rodenberg, A; Hamm, P; Alberto, R (2011). Photocatalytic H2 production from water with rhenium and cobalt complexes. Inorganic Chemistry, 50(8):3404-3412.

Hoffmann, A; Nettels, D; Clark, J; Borgia, A; Radford, S E; Clarke, J; Schuler, B (2011). Quantifying heterogeneity and conformational dynamics from single molecule FRET of diffusing molecules: recurrence analysis of single particles (RASP). Physical Chemistry Chemical Physics (PCCP), 13(5):1857-1871.

Fu, C; Linden, Anthony; Heimgartner, H (2011). Reaction of optically active Oxiranes with Thiofenchone and 1-Methylpyrrolidine-2-thione. Formation of 1,3-Oxathiolanes and Thiiranes. Helvetica Chimica Acta, 94(5):773-784.

Murdachaew, G; Mundy, C J; Schenter, G K; Laino, T; Hutter, J (2011). Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice. Journal of Physical Chemistry. A, 115(23):6046-6053.

Graf, N; Thomasson, E; Tanno, A; Vörös, J; Zambelli, T (2011). Spontaneous formation of a vesicle multilayer on top of an exponentially growing polyelectrolyte multilayer mediated by diffusing poly-L-lysine. Journal of Physical Chemistry. B, 115(43):12386-12391.

Dannecker-Dörig, I; Linden, Anthony; Heimgartner, H (2011). Synthesis of Poly-Aib Oligopeptides and Aib-Containing Peptides via the 'Azirine/Oxazolone Method', and their crystal structures. Helvetica Chimica Acta, 94(6):993-1011.

Ince, M; Gartmann, N; Claessens, C G; Torres, T; Brühwiler, D (2011). Synthesis of subphthalocyanines as probes for the accessibility of silica nanochannels. Organic Letters, 13(18):4918-4921.

Yuan, H; Xia, T; Schuler, B; Orrit, M (2011). Temperature-cycle single-molecule FRET microscopy on polyprolines. Physical Chemistry Chemical Physics (PCCP), 13(5):1762-1769.

Blenn, C; Wyrsch, P; Althaus, F R (2011). The ups and downs of tannins as inhibitors of poly(ADP-ribose)glycohydrolase. Molecules, 16(2):1854-1877.

Garrett-Roe, S; Perakis, F; Rao, F; Hamm, P (2011). Three-dimensional infrared spectroscopy of isotope-substituted liquid water reveals heterogeneous dynamics. Journal of Physical Chemistry. B, 115(21):6976-6984.

Zelenka, K; Borsig, L; Alberto, R (2011). Trifunctional (99m)Tc based radiopharmaceuticals: metal-mediated conjugation of a peptide with a nucleus targeting intercalator. Organic & Biomolecular Chemistry, 9(4):1071-1078.

Perakis, F; Widmer, S; Hamm, P (2011). Two-dimensional infrared spectroscopy of isotope-diluted ice Ih. Journal of Chemical Physics, 134(20):204505.

Perakis, F; Hamm, P (2011). Two-dimensional infrared spectroscopy of supercooled water. Journal of Physical Chemistry. B, 115(18):5289-5293.

Rabe, Michael; Verdes, Dorinel; Seeger, Stefan (2011). Understanding protein adsorption phenomena at solid surfaces. Advances in Colloid and Interface Science, 162(1-2):87-106.

Donten, M L; Hamm, P (2011). pH-Jump overshooting. Journal of Physical Chemistry Letters, 2(13):1607-1611.

2010

Mawad, N; Ghorbani-Salman Pour, F; Linden, Anthony; Heimgartner, H (2010). Synthesis and Crystal Structure of 3,3,6,6-Tetramethylmorpholine-2,5-dione, and its 5-Monothio- and 2,5-Dithio-Derivatives. Helvetica Chimica Acta, 93(12):2326-2346.

Garg, Jai Anand; Blacque, Olivier; Fox, Thomas; Venkatesan, Koushik (2010). Stable and tunable phosphorescent neutral cyclometalated Au(III) diaryl complexes. Inorganic Chemistry, 49(24):11463-11472.

Patra, M; Gasser, G; Wenzel, M; Merz, K; Bandow, J E; Metzler-Nolte, N (2010). Synthesis and biological evaluation of ferrocene-containing bioorganometallics inspired by the antibiotic platensimycin lead structure. Organometallics, 29(19):4312-4319.

Heimgartner, H; Linden, Anthony; Mlostoń, Grzegorz; Obijalska, E (2010). Synthesis of Three-, Five-, and Six-Membered Heterocycles Derived from New β-Amino-α-trifluoromethyl Alcohols. Helvetica Chimica Acta, 93(9):1725-1736.

Mlostoń, Grzegorz; Obijalska, E; Heimgartner, H (2010). Synthesis of β-amino-α-trifluoromethyl alcohols and their applications in organic synthesis. Journal of Fluorine Chemistry, 131(8):829-843.

Zobi, F; Degonda, A; Schaub, M C; Bogdanova, A Y (2010). CO releasing properties and cytoprotective effect of cis-trans-[Re(II)(CO)2Br2L2]n complexes. Inorganic Chemistry, 49(16):7313-7322.

Hofmann, J P; Zweidinger, S; Knapp, M; Seitsonen, A P; Schulte, K; Andersen, J N; Lundgren, E; Over, H (2010). Hydrogen-Promoted Chlorination of RuO2(110). Journal of Physical Chemistry C, 114(24):10901-10909.

Berke, H (2010). Conceptual approach to the reactivity of dihydrogen. ChemPhysChem, 11(9):1837-1849.

Ushkov, A V; Kuznetsov, M A; Linden, Anthony; Heimgartner, H (2010). Tri- and Tetra-Substituted N-Phthalimidoaziridines in 1,3-Dipolar Cycloaddition Reactions. Helvetica Chimica Acta, 93(5):847-862.

Schiffmann, F; VandeVondele, J; Hutter, J; Wirz, R; Urakawa, A; Baiker, A (2010). Protonation-Dependent Binding of Ruthenium Bipyridyl Complexes to the Anatase(101) Surface. Journal of Physical Chemistry C, 114(18):8398-8404.

Mloston, G; Obijalska, E; Linden, Anthony; Heimgartner, H (2010). Synthesis and structure of nitrones derived from 2-trifluoromethyl bornane 3-imines. Journal of Fluorine Chemistry, 131(5):578-583.

Backus, E H G; Bloem, R; Donaldson, P M; Ihalainen, J A; Pfister, R; Paoli, B; Caflisch, A; Hamm, P (2010). 2D-IR Study of a Photoswitchable Isotope-Labeled α-Helix. Journal of Physical Chemistry. B, 114(10):3735-3740.

Atanassov, P K; Linden, Anthony; Heimgartner, H (2010). Synthesis of 1,3-Selenazol-2(3H)-imines. Helvetica Chimica Acta, 93(3):395-404.

Romero-Isart, N; Oliva, B; Vašák, M (2010). Influence of NH-S gamma bonding interactions on the structure and dynamics of metallothioneins. Journal of Molecular Modeling, 16(3):387-394.

Briand, J; Bram, O; Rehault, J; Leonard, J; Cannizzo, A; Chergui, M; Zanirato, V; Olivucci, M; Helbing, J; Haacke, S (2010). Coherent ultrafast torsional motion and isomerization of a biomimetic dipolar photoswitch. Physical Chemistry Chemical Physics (PCCP), 12(13):3178-3187.

Avramovic, N; Hoeck, J; Blacque, O; Fox, T; Schmalle, H W; Berke, H (2010). Hydridic reactivity of W(CO)(H)(NO)(PMe3)(3) - Dihydrogen bonding and H-2 formation with protic donors. Journal of Organometallic Chemistry, 695(3):382-391.

Jiang, C; Blacque, O; Berke, H (2010). Activation of terminal alkynes by frustrated lewis pairs. Organometallics, 29(1):125-133.

Bayati, Basil; Owhadi, Houman; Koumoutsakos, Petros (2010). A cutoff phenomenon in accelerated stochastic simulations of chemical kinetics via flow averaging (FLAVOR-SSA). Journal of Chemical Physics, 133(24):244117.

Probst, B; Rodenberg, A; Guttentag, M; Hamm, P; Alberto, R (2010). A highly stable rhenium-cobalt system for photocatalytic H(2) production: unraveling the performance-limiting steps. Inorganic Chemistry, 49(14):6453-6460.

Ramaswamy, Rajesh; Sbalzarini, Ivo F (2010). A partial-propensity variant of the composition-rejection stochastic simulation algorithm for chemical reaction networks. The Journal of chemical physics, 132(4):044102.

El Rayes, S; Linden, Anthony; Abou-Hadeed, K; Hansen, H J (2010). Alkylation reactions at the benzo moiety of 2,4-Dimethoxy-3-(phenylsulfonyl)benzo[a]heptalenes – model compounds of colchicinoids. Helvetica Chimica Acta, 93(10):1894-1911.

Nonella, M; Suter, H U; Huber, J R (2010). An ab initio and dynamics study of the photodissociation of nitric acid HNO3. Chemical Physics Letters, 487(1-3):28-31.

Polyansky, Anton A; Ramaswamy, Rajesh; Volynsky, Pavel E; Sbalzarini, Ivo F; Marrink, Siewert J; Efremov, Roman G (2010). Antimicrobial Peptides Induce Growth of Phosphatidylglycerol Domains in a Model Bacterial Membrane. Journal of Physical Chemistry Letters, 1(20):3108-3111.

Peverati, R; Macrina, M; Baldridge, K K (2010). Assessment of DFT and DFT-D for potential energy surfaces of rare gas trimers - implementation and analysis of functionals and extrapolation procedures. Journal of Chemical Theory and Computation, 6(7):1951-1965.

Guidon, M; Hutter, J; VandeVondele, J (2010). Auxiliary density matrix methods for Hartree-Fock exchange calculations. Journal of Chemical Theory and Computation, 6(8):2348-2364.

Santangelo, M G; Antoni, P M; Spingler, B; Jeschke, G (2010). Can copper(II) mediate Hoogsteen base-pairing in a left-handed DNA duplex? A pulse EPR study. ChemPhysChem, 11(3):599-606.

Weber, V; Asthagiri, D (2010). Communication: Thermodynamics of water modeled using ab initio simulations. Journal of Chemical Physics, 133(14):141101.

Zhou, T; Lafleur, K; Caflisch, A (2010). Complementing ultrafast shape recognition with an optical isomerism descriptor. Journal of Molecular Graphics and Modelling, 29(3):443-449.

Clerc, J; Schellenberg, B; Groll, M; Bachmann, A S; Huber, R; Dudler, R; Kaiser, M (2010). Convergent synthesis and biological evaluation of syringolin a and derivatives as eukaryotic 20s proteasome inhibitors. European Journal of Organic Chemistry, 2010(21):3991-4003.

Magno, A; Caflisch, A; Pellarin, R (2010). Crowding effects on amyloid aggregation kinetics. Journal of Physical Chemistry Letters, (1):3027-3032.

Hofmann, J P; Zweidinger, S; Seitsonen, A P; Farkas, A; Knapp, M; Balmes, O; Lundgren, E; Andersen, J N; Over, H (2010). Dynamic response of chlorine atoms on a RuO2(110) model catalyst surface. Physical Chemistry Chemical Physics (PCCP), 12:15358-15366.

Malashikhin, S A; Baldridge, K K; Finney, N S (2010). Efficient discovery of fluorescent chemosensors based on a biarylpyridine scaffold. Organic Letters, 12(5):940-943.

Gabi, Michael; Larmagnac, Alexandre; Schulte, Petra; Vörös, János (2010). Electrically controlling cell adhesion, growth and migration. Colloids and Surfaces. B, Biointerfaces, 79(2):365-371.

Qi, B; Muff, S; Caflisch, A; Dinner, A R (2010). Extracting physically intuitive reaction coordinates from transition networks of a beta-sheet miniprotein. Journal of Physical Chemistry. B, 114(20):6979-6989.

Jin, X; Linden, Anthony; Hansen, H J (2010). Formation of 6-Methyl-7,11-diphenylheptaleno[1,2-c]furanones. Helvetica Chimica Acta, 93(5):934-945.

Schuetz, P; Wuttke, R; Schuler, B; Caflisch, A (2010). Free energy surfaces from single-distance information. Journal of Physical Chemistry. B, 114(46):15227-15235.

Marsalek, O; Frigato, T; VandeVondele, J; Bradforth, S E; Schmidt, B; Schutte, C; Jungwirth, P (2010). Hydrogen forms in water by proton transfer to a distorted electron. Journal of Physical Chemistry. B, 114(2):915-920.

Hesske, H; Urakawa, A; VandeVondele, J; Baiker, A (2010). Insight into fundamental, overtone, and combination IR bands of surface and bulk Ba(NO3)2 by ab initio molecular dynamics. Journal of Physical Chemistry. C, 114(35):15042-15048.

Zahn, R; Boulmedais, F; Vörös, J; Schaaf, P; Zambelli, T (2010). Ion and solvent exchange processes in PGA/PAH polyelectrolyte multilayers containing ferrocyanide. Journal of Physical Chemistry. B, 114(11):3759-3768.

Zobi, F (2010). Ligand electronic parameters as a measure of the polarization of the C≡O bond in [M(CO)(x)L(y)]n complexes and of the relative stabilization of [M(CO)(x)L(y)](n/n+1) species. Inorganic Chemistry, 49(22):10370-10377.

Bellucci, L; Laino, T; Tafi, A; Botta, M (2010). Metadynamics Simulations of Enantioselective Acylation Give Insights into the Catalytic Mechanism of Burkholderia cepacia Lipase. Journal of Chemical Theory and Computation, 6(4):1145-1156.

Weber, V; Merchant, S; Dixit, P D; Asthagiri, D (2010). Molecular packing and chemical association in liquid water simulated using ab initio hybrid Monte Carlo and different exchange-correlation functionals. Journal of Chemical Physics, 132(20):204509.

Nonella, M; Seeger, S (2010). Monitoring peptide-surface interaction by means of molecular dynamics simulation. Chemical Physics, 378(1-3):73-81.

Seyfried, M S; Lauber, B S; Luedtke, N W (2010). Multiple-turnover isotopic labeling of Fmoc- and Boc-protected amino acids with oxygen isotopes. Organic Letters, 12(1):104-106.

Ma, H; Brugger, T; Berner, S; Ding, Y; Iannuzzi, M; Hutter, J; Osterwalder, J; Greber, T (2010). Nano-ice on boron nitride nanomesh: accessing proton disorder. ChemPhysChem, 11(2):399-403.

Roth, S; Leuenberger, D; Osterwalder, J; Dahl, J E; Carlson, R M K; Tkachenko, B A; Fokin, A A; Schreiner, P R; Hengsberger, M (2010). Negative-electron-affinity diamondoid monolayers as high-brilliance source for ultrashort electron pulses. Chemical Physics Letters, 495(1-3):102-108.

Kunz, P C; Wetzel, C; Bongartz, M; Noffke, A L; Spingler, B (2010). Novel multitopic diphos-type ligands. Journal of Organometallic Chemistry, 695(15-16):1891-1897.

Seitsonen, A P; Over, H (2010). Oxidation of HCl over TiO2-supported RuO2: A density functional theory study. Journal of Physical Chemistry. C, 114(51):22624-22629.

Nonella, M; Suter, H U; Huber, J R (2010). Predissociation via conformational change: Photodissociation of N,N-dimethylnitrosamine in the S1 state. Journal of Physical Chemistry. A, 114(50):13011-13015.

Gasecka, A; Dieu, L Q; Brühwiler, D; Brasselet, S (2010). Probing molecular order in zeolite L inclusion compounds using two-photon fluorescence polarimetric microscopy. Journal of Physical Chemistry. B, 114(12):4192-4198.

Ehtemam, M H; Rahiminejad, M R; Hojjatollah, S; Tabatabaei, B E S; Krattinger, S G; Keller, B (2010). Relationships among the A genomes of Triticum L. species as evidenced by SSR markers, in Iran. International Journal of Molecular Sciences, 11(11):4309-4325.

Vieille-Petit, L; Clavier, H; Linden, Anthony; Blumentritt, S; Nolan, S P; Dorta, R (2010). Ruthenium Olefin Metathesis Catalysts with N-Heterocyclic Carbene Ligands BearingN-Naphthyl Side Chains. Organometallics, 29(4):775-788.

Paoli, B; Pellarin, R; Caflisch, A (2010). Slow folding of cross-linked alpha-helical peptides due to steric hindrance. Journal of Physical Chemistry. B, 114(5):2023-2027.

Friedman, R; Pellarin, R; Caflisch, A (2010). Soluble Protofibrils as Metastable Intermediates in Simulations of Amyloid Fibril Degradation Induced by Lipid Vesicles. Journal of Physical Chemistry Letters:471-474.

Rao, F; Garrett-Roe, S; Hamm, P (2010). Structural inhomogeneity of water by complex network analysis. Journal of Physical Chemistry. B, 114(47):15598-15604.

Zahn, R; Vörös, J; Zambelli, T (2010). Swelling of electrochemically active polyelectrolyte multilayers. Current Opinion in Colloid & Interface Science, 15(6):427-434.

Liu, Y; Oliveira, B L; Correia, J D G; Santos, I C; Santos, I; Spingler, B; Alberto, R (2010). Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc. Organic & Biomolecular Chemistry, 8(12):2829-2839.

Pitchumony, T S; Spingler, B; Motterlini, R; Alberto, R (2010). Syntheses, structural characterization and CO releasing properties of boranocarbonate H3BCO2H](-) derivatives. Organic & Biomolecular Chemistry, 8(21):4849-4854.

Zonta, C; De Lucchi, O; Linden, Anthony; Lutz, M (2010). Synthesis and structure of D3h-symmetric triptycene trimaleimide. Molecules, 15(1):226-232.

Jin, X; Linden, Anthony; Hansen, H J (2010). Synthesis of 1-methyl-6,10-diphenylheptalene derivatives. Helvetica Chimica Acta, 93(4):729-745.

Oehlke, E; Alberto, R; Abram, U (2010). Synthesis, characterization, and structures of R3EOTcO3 complexes (E = C, Si, Ge, Sn, Pb) and related compounds. Inorganic Chemistry, 49(7):3525-3530.

Baldridge, K K; Hardcastle, K I; Seiders, T J; Siegel, J S (2010). Synthesis, structure and properties of decakis(phenylthio)corannulene. Organic & Biomolecular Chemistry, 8(1):53-55.

Garrett-Roe, S; Hamm, P (2010). The OH stretch vibration of liquid water reveals hydrogen-bond clusters. Physical Chemistry Chemical Physics (PCCP), 12(37):11263-11266.

Gartmann, N; Schütze, C; Ritter, H; Brühwiler, D (2010). The effect of water on the functionalization of mesoporous silica with 3-aminopropyltriethoxysilane. Journal of Physical Chemistry Letters, 1(1):379-382.

Hungerford, G; Hussain, F; Patzke, Greta R; Green, M (2010). The photophysics of europium and terbium polyoxometalates and their interaction with serum albumin: a time-resolved luminescence study. Physical Chemistry Chemical Physics (PCCP), 12(26):7266-7275.

Sugihara, K; Vörös, J; Zambelli, T (2010). The resistance of polyelectrolyte multilayers in a free-hanging configuration. Journal of Physical Chemistry. B, 114(44):13982-13987.

Braband, H; Imstepf, S; Felber, M; Spingler, B; Alberto, R (2010). Triazacyclohexane (tach) complexes of high-valent rhenium: syntheses of [(R(3)tach)ReO(3)](+) (R = -CH(3), -CH(2)C(6)H(5)) and its substitution reactions. Inorganic Chemistry, 49(4):1283-1285.

Wang, G L; Lin, Y J; Berke, H; Jin, G X (2010). Two-step assembly of multinuclear metallacycles with half-sandwich Ir, Rh, and Ru fragments for counteranion encapsulation. Inorganic Chemistry, 49(5):2193-2201.

Rabe, M; Verdes, D; Seeger, S (2010). Understanding cooperative protein adsorption events at the microscopic scale: a comparison between experimental data and Monte Carlo simulations. Journal of Physical Chemistry. B, 114(17):5862-5869.

Maccaroni, E; Dong, H; Blacque, O; Schmalle, H W; Frech, C M; Berke, H (2010). Water soluble phosphine rhenium complexes. Journal of Organometallic Chemistry, 695(4):487-494.

Hussain, F; Degonda, A; Sandriesser, S; Fox, T; Mal, S S; Kortz, U; Patzke, Greta R (2010). Yttrium containing head-on complexes of silico- and germanotungstate: Synthesis, structure and solution properties. Inorganica Chimica Acta, 363(15):4324-4328.

Semenov, S N; Blacque, O; Fox, T; Venkatesan, K; Berke, H (2010). [W(CO)(dppe)2] cumulenylidene and acetylide complexes accessed via stannylated acetylenes and butadiynes. Organometallics, 29(23):6321-6328.

2009

Mlostoń, Grzegorz; Urbaniak, K; Domagała, M; Pfitzner, A; Zabel, M; Heimgartner, H (2009). Thermal [2+3]-cycloadditions of trans-1-methyl-2,3-diphenylaziridine with C=S and C=C dipolarophiles: An unexpected course with dimethyl dicyanofumarate. Helvetica Chimica Acta, 92(12):2631-2642.

Guidon, M; VandeVondele, J; Hutter, J (2009). Robust Periodic Hartree−Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets. Journal of Chemical Theory and Computation, 5(11):3010-3021.

Andresen, E R; Gremaud, R; Borgschulte, A; Ramirez-Cuesta, A J; Züttel, A; Hamm, P (2009). Vibrational dynamics of LiBH4 by infrared pump−probe and 2D spectroscopy. Journal of Physical Chemistry. A, 113(46):12838-12846.

Seyfried, M S; Linden, Anthony; Mlostoń, Grzegorz; Heimgartner, H (2009). Chemoselectivity of the Reactions of Diazomethanes with 5-Benzylidene-3-phenylrhodanine. Helvetica Chimica Acta, 92(9):1800-1816.

Peverati, R; Baldridge, K K (2009). Implementation and optimization of DFT-D/COSab with respect to basis set and functional: Application to polar processes of furfural derivatives in solution. Journal of Chemical Theory and Computation, 5(10):2772-2786.

Backus, E H G; Bloem, R; Pfister, R; Moretto, A; Crisma, M; Toniolo, C; Hamm, P (2009). Dynamical Transition in a Small Helical Peptide and Its Implication for Vibrational Energy Transport. Journal of Physical Chemistry. B, 113(40):13405-13409.

Schade, M; Moretto, A; Crisma, M; Toniolo, C; Hamm, P (2009). Vibrational Energy Transport in Peptide Helices after Excitation of C−D Modes in Leu-d10. Journal of Physical Chemistry. B, 113(40):13393-13397.

Jiang, C; Blacque, O; Berke, H (2009). Metal-free hydrogen activation by the frustrated Lewis Pairs of ClB(C6F5)2 and HB(C6F5)2 and bulky Lewis bases. Organometallics, 28(17):5233 -5239.

Berke, H; Frech, C M; Llamazares, A; Blacque, O; Schmalle, H W (2009). Reactivity of Cationic Dinitrosyl Bisphosphine Rhenium Complexes toward Acetylene: Base-Controlled Product Formation. Organometallics, 18(28):5333-5340.

Jiang, Y; Blacque, O; Frech, C M; Fox, T; Berke, H (2009). Development of Rhenium Catalysts for Amine Borane Dehydrocoupling and Transfer Hydrogenation of Olefins. Organometallics, 28(18):5493-5504.

Gopich, I V; Nettels, D; Schuler, B; Szabo, A (2009). Protein dynamics from single-molecule fluorescence intensity correlation functions. Journal of Chemical Physics, 131(9):095102.

Mlostoń, Grzegorz; Celeda, M; Linden, Anthony; Heimgartner, H (2009). Two- and Three-Component Reactions Leading to New Enamines Derived from 2,3-Dicyanobut-2-enoates. Helvetica Chimica Acta, 92(8):1520-1537.

Schmidt, J; VandeVondele, J; Kuo, I F W; Sebastiani, D; Siepmann, J I; Hutter, J; Mundy, C J (2009). Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions. Journal of Physical Chemistry. B, 113(35):11959-11964.

Jiang, Y; Blacque, O; Fox, T; Frech, C M; Berke, H (2009). From alkynes to carbenes mediated by [Re(Br)(H)(NO)(PR3)2] (R = Cy, iPr) complexes. Organometallics, 28(16):4670-4680.

Weber, V; Iannuzzi, M; Giani, S; Hutter, J; Declerck, R; Waroquier, M (2009). Magnetic linear response properties calculations with the Gaussian and augmented-plane-wave method. Journal of Chemical Physics, 131(1):014106.

Schade, M; Hamm, P (2009). Vibrational energy transport in the presence of intrasite vibrational energy redistribution. Journal of Chemical Physics, 131(4):044511.

Trinh, T T; Jansen, A P J; van Santen, R A; VandeVondele, J; Meijer, E J (2009). Effect of Counter Ions on the Silica Oligomerization Reaction. ChemPhysChem, 10(11):1775-1782.

Füchslin, R M; Fellermann, H; Eriksson, A; Ziock, H J (2009). Coarse graining and scaling in dissipative particle dynamics. Journal of Chemical Physics, 130(21):214102.

Ritter, H; Brühwiler, D (2009). Accessibility of amino groups in postsynthetically modified mesoporous silica. Journal of Physical Chemistry C, 113(24):10667-10674.

Mlostoń, Grzegorz; Romański, J; Jasiński, M; Heimgartner, H (2009). Exploration of 4,5-dimethyl-1H-imidazole N-oxide derivatives in the synthesis of new achiral and chiral liquids. Tetrahedron: Asymmetry, 20(9):1073-1080.

Andresen, E R; Hamm, P (2009). Site-Specific Difference 2D-IR Spectroscopy of Bacteriorhodopsin. Journal of Physical Chemistry. B, 113(18):6520-6527.

Garrett-Roe, S; Hamm, P (2009). Purely absorptive three-dimensional infrared spectroscopy. Journal of Chemical Physics, 130(16):164510.

Zobi, F; Blacque, O; Steyl, G; Spingler, B (2009). Formation and Reactivity of [(tacn)-N-CO-ReIIIBr(CO)2]+ in Water: a Theoretical and Experimental Study. Inorganic Chemistry, 48(11):4963-4970.

Paoli, B; Seeber, M; Backus, E H; Ihalainen, J A; Hamm, P; Caflisch, A (2009). Bulky Side Chains and Non-native Salt Bridges Slow down the Folding of a Cross-Linked Helical Peptide: A Combined Molecular Dynamics and Time-Resolved Infrared Spectroscopy Study. Journal of Physical Chemistry. B, 113(13):4435-4442.

Muff, S; Caflisch, A (2009). Identification of the protein folding transition state from molecular dynamics trajectories. Journal of Chemical Physics, 130(12):125104.

Peindy N'Dongo, H W; Liu, Y; Can, D; Schmutz, P; Spingler, B; Alberto, R (2009). Aqueous syntheses of [(Cp-R)M(CO)3] type complexes (Cp = cyclopentadienyl, M = Mn, 99mTc, Re) with bioactive functionalities. Journal of Organometallic Chemistry, 694(6):981-987.

Bruschi, M; Limacher, P A; Hutter, J; Luethi, H P (2009). A Scheme for the Evaluation of Electron Delocalization and Conjugation Efficiency in Linearly π-Conjugated Systems. Journal of Chemical Theory and Computation, 5(3):506-514.

Muff, S; Caflisch, A (2009). ETNA: Equilibrium Transitions Network and Arrhenius Equation for Extracting Folding Kinetics from REMD Simulations. Journal of Physical Chemistry. B, 113(10):3218-3226.

Bregy, H; Heimgartner, H; Helbing, J (2009). A Time-resolved Spectroscopic Comparison of the Photoisomerization of Small beta-Turn-forming Thioxopeptides. Journal of Physical Chemistry. B, 113(6):1756-1762.

Satoh, H; Hutter, J; Luethi, H P; Manabe, S; Ishii, K; Ito, Y (2009). Low-Barrier Pathway for endo-Cleavage Induced Anomerization of Pyranosides with N-Benzyl-2,3-trans-oxazolidinone Groups. European Journal of Organic Chemistry, 2009(8):1127-1131.

Linden, Anthony; Petridis, A; James, B D (2009). Structural Diversity in Thallium Chemistry. Part VI. Analysis of Structure Correlation in Organoammonium Bromothallates(III). Helvetica Chimica Acta, 92(1):29-71.

Wu, Y T; Tai, C C; Lin, W C; Baldridge, K K (2009). 1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c’:5,6-c’’]trithiophene: a twisted heteroacene. Organic & Biomolecular Chemistry, 7(13):2748-2755.

Ramaswamy, Rajesh; González-Segredo, Nélido; Sbalzarini, Ivo F (2009). A new class of highly efficient exact stochastic simulation algorithms for chemical reaction networks. The Journal of chemical physics, 130(24):244104.

Tilley, S David; Reber, Keith P; Sorensen, Erik J (2009). A rapid, asymmetric synthesis of the Decahydrofluorene core of the hirsutellones. Organic Letters, 11(3):701-703.

Peverati, R; Siegel, J S; Baldridge, K K (2009). Ab initio quantum chemical computations of substituent effects on triaziridine strain energy and heat of formation. Physical Chemistry Chemical Physics (PCCP), 11(14):2387-2395.

Piccini, C; Conde, D; Pernthaler, J; Sommaruga, R (2009). Alteration of chromophoric dissolved organic matter by solar UV radiation causes rapid changes in bacterial community composition. Photochemical & Photobiological Sciences, 8(9):1321-1328.

Probst, B; Kolano, C; Hamm, P; Alberto, R (2009). An efficient homogeneous intermolecular rhenium based photocatalytic system for the production of H2. Inorganic Chemistry, 48(5):1836-1843.

Mjolsness, E; Orendorff, D; Chatelain, P; Koumoutsakos, P (2009). An exact accelerated stochastic simulation algorithm. The Journal of chemical physics, 130(14):144110.

Wagnière, G H; Rikken, G L J A (2009). Chirality and magnetism: Free electron on an infinite helix, NCD, MCD,and magnetochiral dichroism. Chemical Physics Letters, 481(4-6):166-168.

Basu Baul, T S; Mizar, A; Pauli, A; Ruisi, G; Willem, R; Biesemans, M; Linden, Anthony (2009). Crystal and solution structures of di-n-butyltin(IV) complexes of 5-[(E)-2-(4-methoxyphenyl)-1-diazenyl]quinolin-8-ol and benzoic acid derivatives: En route to elegant self-assembly via modulation of the tin coordination geometry. Journal of Organometallic Chemistry, 694(14):2142-2152.

Rahanyan, N; Linden, Anthony; Baldridge, K K; Siegel, J S (2009). Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives. Organic & Biomolecular Chemistry, 7(10):2082-2092.

Niklasson, A M N; Steneteg, P; Odell, A; Bock, N; Challacombe, M; Tymczak, C J; Holmstroem, E; Zheng, G; Weber, V (2009). Extended Lagrangian Born–Oppenheimer molecular dynamics with dissipation. Journal of Chemical Physics, 130(21):214109.

Alberto, R; N'Dongo, H W P; Clericuzio, M; Bonetti, S; Gabano, E; Cassino, C; Ravera, M; Osella, D (2009). Functionalized thymidine derivatives as carriers for the γ-emitter technetium tricarbonyl moiety. Inorganica Chimica Acta, 362(13):4785-4790.

Angelov, Todor; Guainazzi, Angelo; Schärer, Orlando D (2009). Generation of DNA interstrand cross-links by post-synthetic reductive amination. Organic Letters, 11(3):661-664.

Furler, M; Knobloch, B; Sigel, Roland K O (2009). Influence of decreased solvent permittivity on the structure and magnesium(II)-binding properties of the catalytic domain 5 of a group II intron ribozyme. Inorganica Chimica Acta, 362(3):771-776.

Harms, J H; Lautenschlager, S; Minder, C E; Minder, E I (2009). Mitigating photosensitivity of erythropoietic protoporphyria patients by an agonistic analog of alpha-melanocyte stimulating hormone. Photochemistry and Photobiology, 85(6):1434-1439.

Neumann, M (2009). Molecular neuropathology of TDP-43 proteinopathies. International Journal of Molecular Sciences, 10(1):232-246.

Allkofer, Y (2009). Observation of πK-atoms with DIRAC-II. Hyperfine Interactions, 193(1-3):39-45.

Zobi, F (2009). Parametrization of the contribution of mono- and bidentate ligands on the symmetric C=O stretching frequency of fac-[Re(CO)3]+ complexes. Inorganic Chemistry, 48(22):10845-10855.

Klosterman, J K; Baldridge, K K; Siegel, J S (2009). Photophysics of manisyl-substituted 2-pyridin-2-yl-1,10-phenanthrolines. Dual emission dependent on structure and solvent. Physical Chemistry Chemical Physics (PCCP), 11(26):5408-5415.

Männel-Croisé, C; Zelder, F (2009). Side chains of cobalt corrinoids control the sensitivity and selectivity in the colorimetric detection of cyanide. Inorganic Chemistry, 48(4):1272-1274.

Schicht, O; Freisinger, E (2009). Spectroscopic characterization of Cicer arietinum metallothionein 1. Inorganica Chimica Acta, 362(3):714-724.

Gerber, R; Blacque, O; Frech, C M (2009). Suzuki cross-coupling reactions catalyzed by an aliphatic phosphine based pincer complex of Palladium performed in air, using water and NaOH as solvent and base. ChemCatChem, 1(3):393-400.

Collin, M P; Hobbie, S N; Böttger, E C; Vasella, A (2009). Synthesis and Evaluation of S- and C(1)-Substituted Analogues of Lincomycin. Helvetica Chimica Acta, 92(2):230-266.

Maag, R; Northrop, B H; Butterfield, A; Linden, Anthony; Zerbe, O; Lee, Y M; Chi, K W; Stang, P J; Siegel, J S (2009). Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons. Organic & Biomolecular Chemistry, 7(23):4881 -4885.

Zobi, F; Kromer, L; Spingler, B; Alberto, R (2009). Synthesis and reactivities of the 17 e- complex [ReIIBr4(CO)2]2-: A convenient entry into Rhenium(II) chemistry. Inorganic Chemistry, 48(18):8965-8970.

Frantz, D K; Sullivan, A A; Yasui, Y; Linden, Anthony; Baldridge, K K; Siegel, J S (2009). Synthesis, X-ray crystal structures, and computational studies of 1,1’-bridged 4,4’-diaryl-2,2’-bibenzimidazoles: novel building blocks for supramolecular structures. Organic & Biomolecular Chemistry, 7(11):2347-2352.

Frech, C M; Shimon, L J W; Milstein, D (2009). Unsaturated Rh(I) and Rh(III) Naphthyl-based PCP complexes. Major steric effect on reactivity. Organometallics, 28(6):1900-1908.

2008

Masson, F; Laino, T; Rothlisberger, U; Hutter, J (2008). A QM/MM Investigation of Thymine Dimer Radical Anion Splitting Catalyzed by DNA Photolyase. ChemPhysChem, 10(2):400-410.

Peverati, R; Baldridge, K K (2008). Implementation and optimization of DFT-D with respect to basis set and functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons. Journal of Chemical Theory and Computation, 4(12):2030-2048.

Backus, E H G; Nguyen, P H; Botan, V; Moretto, A; Crisma, M; Toniolo, C; Zerbe, O; Stock, G; Hamm, P (2008). Structural flexibility of a helical peptide regulates vibrational energy transport properties. Journal of Physical Chemistry. B, 112(48):15487-15492.

Mariz, R; Briceño, A; Dorta, R; Dorta, R (2008). Chiral dibenzazepine-based P-alkene ligands and their Rhodium complexes: catalytic asymmetric 1,4 additions to enones. Organometallics, 27(24):6605-6613.

Méret, M; Bienz, S (2008). Efficient and flexible solid-phase synthesis of N-hydroxypolyamine derivatives. European Journal of Organic Chemistry, (33):5518-5525.

Botan, V; Hamm, P (2008). Intramolecular vibrational energy relaxation in nitrous acid (HONO). Journal of Chemical Physics, 129(16):164506.

Pfister, P; Ihalainen, J; Hamm, P; Kolano, C (2008). Synthesis, characterization and applicability of three isotope labeled azobenzene photoswitches. Organic & Biomolecular Chemistry, 6(19):3508-3517.

Bisson, William H; Westera, Gerrit; Schubiger, P Augustus; Scapozza, Leonardo (2008). Homology modeling and dynamics of the extracellular domain of rat and human neuronal nicotinic acetylcholine receptor subtypes α4β2 and α7. Journal of Molecular Modeling, 14(10):891-899.

Krumeich, F; Patzke, Greta R (2008). A series of aluminum tungsten oxides crystallizing in a new ReO3-related structure type. Journal of Solid State Chemistry, 181(10):2646-2652.

Botan, V; Hamm, P (2008). Temperature dependence of the IR driven cis-trans isomerization of nitrous acid (HONO). Journal of Chemical Physics, 129(11):114510.

Malashikhin, S A; Linden, Anthony; Heimgartner, H; Rodina, L L; Nikolaev, V A (2008). Synthesis and structures of two isomeric 4-diazo-2,3,4,5-tetrahydrofuran-3-ones. Helvetica Chimica Acta, 91(9):1662-1668.

Pathak, Rashmi; Perez-Fernandez, Déborah; Nandurdikar, Rahul; Kalapala, Sarath K; Böttger, Erik C; Vasella, Andrea (2008). Synthesis and evaluation of paromomycin derivates modified at C(4'). Helvetica Chimica Acta, 91(8):1533-1552.

Mlostoń, Grzegorz; Woźnicka, M; Drabowicz, J; Linden, Anthony; Heimgartner, H (2008). Addition reactions of sulfenyl and sulfinyl chlorides with 3-phenyl-1-azabicyclo[1.1.0]butane. Helvetica Chimica Acta, 91(8):1419-1429.

Klosterman, J K; Linden, Anthony; Siegel, J S (2008). Synthesis of aryl-substituted 2-pyridyl-1,10-phenanthrolines : a series of oriented terpyridine analogues. Organic & Biomolecular Chemistry, 6(15):2755-2764.

Backus, E H G; Nguyen, P H; Botan, V; Pfister, R; Moretto, A; Crisma, M; Toniolo, C; Stock, G; Hamm, P (2008). Energy transport in peptide helices: a comparison between high- and low-energy excitations. Journal of Physical Chemistry. B, 112(30):9091-9099.

Botan, V; Hamm, P (2008). Rotational dynamics of nitrous acid (HONO) in Kr matrix. Journal of Chemical Physics, 129(4):044507.

Cervetto, V; Hamm, P; Helbing, J (2008). Transient 2D-IR spectroscopy of thiopeptide isomerization. Journal of Physical Chemistry. B, 112(28):8398-8405.

Krivov, S V; Muff, S; Caflisch, A; Karplus, M (2008). One-dimensional barrier-preserving free-energy projections of a beta-sheet miniprotein: new insights into the folding process. Journal of Physical Chemistry. B, 112(29):8701-8714.

Mucha, P; Mlostoń, Grzegorz; Jasiński, M; Linden, Anthony; Heimgartner, H (2008). A new approach to enantiomerically pure bis-imidazoles derived from trans-1,2-diaminocyclohexane. Tetrahedron: Asymmetry, 19(13):1600-1607.

Choualeb, A; Maccaroni, E; Blacque, O; Schmalle, H W; Berke, H (2008). Rhenium nitrosyl complexes for hydrogenations and hydrosilylations. Organometallics, 27(14):3474-3481.

Obijalska, E; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, H (2008). Trifluoromethylation of camphorquinone and its monoimine derivatives. Tetrahedron: Asymmetry, 19(14):1676-1683.

Kozinski, M; Garrett-Roe, S; Hamm, P (2008). 2D-IR spectroscopy of the sulfhydryl band of cysteines in the hydrophobic core of proteins. Journal of Physical Chemistry. B, 112(25):7645-7650.

Ramdas, T; Egan, G; Abramson, D; Baldridge, K K (2008). Uniting extrinsic vectorization and shell structure for efficient SIMD evaluation of Electron Repulsion Integrals. Chemical Physics, 349(1-3):147-157.

Frigato, T; VandeVondele, J; Schmidt, B; Schuette, C; Jungwirth, P (2008). Ab initio molecular dynamics simulation of a medium-sized water cluster anion: From an interior to a surface-located excess electron via a delocalized state. Journal of Physical Chemistry. A, 112(27):6125-6133.

Guidon, M; Schiffmann, F; Hutter, J; VandeVondele, J (2008). Ab initio molecular dynamics using hybrid density functionals. Journal of Chemical Physics, 128(21):214104.

Pieniazek, P A; VandeVondele, J; Jungwirth, P; Krylov, A I; Bradforth, S E (2008). Electronic structure of the water dimer cation. Journal of Physical Chemistry. A, 112(27):6159-6170.

Hamm, P (2008). The infrared-driven cis-trans isomerization of nitrous acid HONO III: a mixed quantum–classical simulation. Chemical Physics, 347(1-3):503-513.

Baldridge, K K; Schmidt, M W (2008). Mark S. Gordon. Theoretical Chemistry Accounts, 120(1-3):1-4.

Baldridge, K K; Siegel, J S (2008). Quantum Chemical Prediction of the 13C NMR Shifts in Alkyl and Chlorocorannulenes: Correction of Chlorine Effects. Theoretical Chemistry Accounts, 120(1-3):95-106.

Ramdas, T; Egan, G; Abramson, D; Baldridge, K K (2008). Towards a special-purpose computer for Hartree-Fock computations. Theoretical Chemistry Accounts, 120(1-3):133-153.

Todorova, T; Hünenberger, P H; Hutter, J (2008). Car-Parrinello molecular dynamics simulations of CaCl2 aqueous solutions. Journal of Chemical Theory and Computation, 4(5):779-789.

Cervetto, V; Pfister, R; Helbing, J (2008). Time-resolved infrared spectroscopy of thiopeptide isomerization and hydrogen-bond breaking. Journal of Physical Chemistry. B, 112(11):3540-3544.

Garrett-Roe, S; Hamm, P (2008). Three-point frequency fluctuation correlation functions of the OH stretch in liquid water. Journal of Chemical Physics, 128(10):104507.

Nettels, D; Hoffmann, A; Schuler, B (2008). Unfolded protein and peptide dynamics investigated with single-molecule FRET and correlation spectroscopy from picoseconds to seconds. Journal of Physical Chemistry. B, 112(19):6137-6146.

Ernst, K H (2008). Amplification of chirality in two-dimensional molecular lattices. Current Opinion in Colloid & Interface Science, 13(1-2):54-59.

Sommen, G L; Linden, Anthony; Heimgartner, H (2008). Selenium-containing heterocycles from isoselenocyanates:5-methylselenazole derivatives from the reaction with malononitrile and propargyl chloride. Helvetica Chimica Acta, 91(2):209-219.

Zelder, F H (2008). Specific colorimetric detection of cyanide triggered by a conformational switch in vitamin B12. Inorganic Chemistry, 47(4):1264-1266.

Tooyama, Y; Braband, H; Spingler, B; Abram, U; Alberto, R (2008). High-valent technetium complexes with the [(99)TcO(3)](+) core from in situ prepared mixed anhydrides of [(99)TcO(4)](-) and their reactivities. Inorganic Chemistry, 47(1):257-264.

Landmesser, T; Linden, Anthony; Hansen, H J (2008). A novel route to 1-substituted 3-(dialkylamino)-9-oxo-9H-indeno[2,1-c]pyridine-4-carbonitriles. Helvetica Chimica Acta, 91(2):265-284.

Weber, V; Hutter, J (2008). A smooth l1-norm sparseness function for orbital based linear scaling total energy minimization. Journal of Chemical Physics, 128(6):064107.

Rossinelli, D; Bayati, B; Koumoutsakos, P (2008). Accelerated stochastic and hybrid methods for spatial simulations of reaction-diffusion systems. Chemical Physics Letters, 451(1-3):136 - 140.

Schmidt, J; Hutter, J; Spiess, H W; Sebastiani, D (2008). Beyond Isotropic Tumbling Models: Nuclear Spin Relaxation in Liquids from First Principles. ChemPhysChem, 9(16):2313-2316.

Palomo, C; Oiarbide, M; García, J M; Bañuelos, P; Odriozola, J M; Razkin, J; Linden, Anthony (2008). Catalytic Michael reactions of ketoesters with a camphor-derived acrylate equivalent: stereoselective access to all-carbon quaternary centers. Organic Letters, 10(13):2637-2640.

Vargas, Angelo; Santarossa, Gianluca; Iannuzzi, Marcella; Baiker, Alfons (2008). Chiral Recognition on Catalytic Surfaces: Theoretical Insight in a Biomimetic Heterogeneous Catalytic System. Journal of Physical Chemistry C, 112(27):10200-10208.

Weber, V; VandeVondele, J; Hutter, J; Niklasson, A M N (2008). Direct energy functional minimization under orthogonality constraints. Journal of Chemical Physics, 128(8):084113.

Rodríguez-Fortea, Antonio; Iannuzzi, Marcella (2008). First-Principles Molecular Dynamics Study of the Heterogeneous Reduction of NO2 on Soot Surfaces. Journal of Physical Chemistry C, 112(49):19642-19648.

Wang, G L; Lin, Y J; Blacque, O; Berke, H; Jin, G X (2008). Helical supramolecular assemblies of {2,4,6-[Cp*Rh(E2-1,2-C2B10H10)(NC5H4CH2S)]3(triazine)} (E = S, Se) shaped by Cp*-toluene-Cp* .pi.-stacking forces and BH-pyridine hydrogen bonding. Inorganic Chemistry, (47):2940-2942.

Nonella, M; Seeger, S (2008). Investigating alanine-silica interaction by means of first-principles moleculardynamics simulations. ChemPhysChem, 9(3):414-421.

Santarossa, Gianluca; Vargas, Angelo; Iannuzzi, Marcella; Pignedoli, Carlo A; Passerone, Daniele; Baiker, Alfons (2008). Modeling bulk and surface Pt using the “Gaussian and plane wave” density functional theory formalism: Validation and comparison to k-point plane wave calculations. Journal of Chemical Physics, 129(23):234703.

Bayati, B; Chatelain, P; Koumoutsakos, P (2008). Multiresolution stochastic simulations of reaction-diffusion processes. Physical Chemistry Chemical Physics (PCCP), 10(39):5963-6.

Laino, T; Hutter, J (2008). Notes on "Ewald summation of electrostatic multipole interactions up to quadrupolar level" [J. Chem. Phys. 119, 7471 (2003)]. Journal of Chemical Physics, 129(7):074102.

Rabe, M; Verdes, D; Zimmermann, J; Seeger, S (2008). Surface organization and cooperativity during nonspecific protein adsorption events. Journal of Physical Chemistry. B, 112(44):13971-13980.

Brun, K A; Linden, Anthony; Heimgartner, H (2008). Synthesis and conformational analysis of pentapeptides containing enantiomerically pure 2,2-disubstituted glycines. Helvetica Chimica Acta, 91(3):526-558.

Jasiński, M; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, H (2008). Synthesis and selected transformations of 1H-imidazole 3-oxides derived from amino acid esters. Helvetica Chimica Acta, 91(10):1916-1933.

Collin, M P; Hobbie, S N; Böttger, E C; Vasella, A (2008). Synthesis of 1,2,3-triazole analogues of lincomycin. Helvetica Chimica Acta, 91(10):1838-1848.

Mlostoń, Grzegorz; Mucha, P; Urbaniak, K; Broda, K; Heimgartner, H (2008). Synthesis of optically active 1-(1-phenylethyl)imidazoles eerived from 1-phenylethylamine. Helvetica Chimica Acta, 91(2):232-238.

Budzowski, A; Linden, Anthony; Heimgartner, H (2008). The azirine/oxazolone approach to the synthesis of Aib-Pro endothiopeptides. Helvetica Chimica Acta, 91(8):1471-1488.

Poater, A; Ragone, F; Giudice, S; Costabile, C; Dorta, R; Nolan, S P; Cavallo, L (2008). Thermodynamics of N-heterocyclic carbene dimerization: The balance of sterics and electronics. Organometallics, 27(12):2679-2681.

Cozzi, F; Annunziata, R; Benaglia, M; Baldridge, K K; Aguirre, G; Estrada, J; Sritana-Anant, Y; Siegel, J S (2008). Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations. Physical Chemistry Chemical Physics (PCCP), 10(19):2686-2694.

Hamm, P; Helbing, J; Bredenbeck, J (2008). Two-dimensional infrared spectroscopy of photoswitchable peptides. Annual Review of Physical Chemistry, 59:291-317.

Mundy, Christopher J; Curioni, Alessandro; Goldman, Nir; Will Kuo, I-F; Reed, Evan J; Fried, Laurence E; Ianuzzi, Marcella (2008). Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression. Journal of Chemical Physics, 128(18):184701.

Iannuzzi, Marcella (2008). X-ray absorption spectra of hexagonal ice and liquid water by all-electron Gaussian and augmented plane wave calculations. Journal of Chemical Physics, 128(20):204506.

2007

Leenders, E J M; VandeVondele, J; Bolhuis, P G; Meijer, E J (2007). Solvation of p-coumaric acid in water. Journal of Physical Chemistry. B, 111(48):13591-13599.

Zobi, F; Blacque, O; Sigel, Roland K O; Alberto, R (2007). Binding Interaction of [Re(H2O)3(CO)3]+ with the DNA Fragment d(CpGpG). Inorganic Chemistry, 46(25):10458-10460.

Erat, M C; Sigel, Roland K O (2007). Determination of the Intrinsic Affinities of Multiple Site-Specific Mg2+Ions Coordinated to Domain 6 of a Group II Intron Ribozyme†. Inorganic Chemistry, 46(26):11224-11234.

Medina-Molner, Alfredo; Blacque, Olivier; Spingler, Bernhard (2007). The synthesis of 1,2-bis(1,5,9-triazacyclododecyl)ethane: A showcase for the importance of the linker length within bis(alkylating) reagents. Organic Letters, 9(23):4829-4831.

VandeVondele, J; Hutter, J (2007). Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases. Journal of Chemical Physics, 127(11):114105.

Campagna, Maurizio; Trzoss, Michael; Bienz, Stefan (2007). More than a protective group: synthesis and applications of a new chiral silane. Organic Letters, 9(19):3793-3796.

Sulpizi, M; Raugei, S; VandeVondele, J; Carloni, P; Sprik, M (2007). Calculation of redox properties: understanding short- and long-range effects in rubredoxin. Journal of Physical Chemistry. B, 111(15):3969-3976.

Iannuzzi, M; Hutter, J (2007). Inner-shell spectroscopy by the Gaussian and augmented plane wave method. Physical Chemistry Chemical Physics (PCCP), 9(13):1599-1610.

Ruiz-Sanchez, Pilar; Mundwiler, Stefan; Medina-Molner, Alfredo; Spingler, Bernhard; Alberto, Roger (2007). Iodination of cisplatin adduct of Vitamin B-12 {B-12}-CN-{cis-PtCl(NH3)(2)}](+). Journal of Organometallic Chemistry, 692(6):1358-1362.

Kromer, Lukas; Spingler, Bernhard; Alberto, Roger (2007). Synthesis and reactivity of ReBr2(NCCH3)(2)(CO)2](-): A new precursor for bioorganometallic chemistry. Journal of Organometallic Chemistry, 692(6):1372-1376.

Costanzo, F; Sulpizi, M; VandeVondele, J; Della Valle, R G; Sprik, M (2007). Ab initio molecular dynamics study of ascorbic acid in aqueous solution. Molecular Physics, 105(1):17-23.

Egli, D H; Linden, Anthony; Heimgartner, H (2007). 1,5-Dipolar electrocyclizations of Thiocarbonyl Ylides bearing C=N groups: Reactions of N-[(Dimethylamino)methylene]thiobenzamide and 2-(Dimethylhydrazono)-1-phenylethane-1-thione with Diazo compounds. Helvetica Chimica Acta, 90(1):86-100.

Mlostoń, Grzegorz; Woźnicka, M; Heimgartner, H (2007). 5-Morpholino-1,2,3,4-thiatriazole as a Sulfur-Transfer reagent in the reactions with Thioketones. Helvetica Chimica Acta, 90(3):594-600.

Rodríguez-Fortea, Antonio; Iannuzzi, Marcella; Parrinello, Michele (2007). Ab Initio Molecular Dynamics Study of Heterogeneous Nitric Acid Decomposition Reactions on Graphite Surfaces. Journal of Physical Chemistry C, 111(5):2251-2258.

Mathur, S; Badertscher, M; Scott, M; Zenobi, R (2007). Critical evaluation of mass spectrometric measurement of dissociation constants: accuracy and cross-validation against surface plasmon resonance and circular dichroism for the calmodulin-melittin system. Physical Chemistry Chemical Physics (PCCP), 9(47):6187-6198.

Salmio, H; Brühwiler, D (2007). Distribution of Amino Groups on a Mesoporous Silica Surface after Submonolayer Deposition of Aminopropylsilanes from an Anhydrous Liquid Phase. Journal of Physical Chemistry C, 111(2):923-929.

Freisinger, E; Sigel, Roland K O (2007). From nucleotides to ribozymes — A comparison of their metal ion binding properties. Coordination Chemistry Reviews, 251(13-14):1834-1851.

Müller, Jens; Freisinger, Eva; Lax, Patrick; Megger, Dominik A; Polonius, Fabian-Alexander (2007). Interaction of Pt(II) and Pd(II) complexes of terpyridine with 1-methylazoles: A combined experimental and density functional study. Inorganica Chimica Acta, 360(1):255-263.

Mlostoń, Grzegorz; Warkentin, J; Linden, Anthony; Heimgartner, H (2007). Reactions of dimethoxycarbene with N-tosylated imines. Helvetica Chimica Acta, 90(10):2024-2036.

Romański, J; Mlostoń, Grzegorz; Heimgartner, H (2007). Reactions of polycyclic ketones with Dimethoxycarbene; a convenient route for a one-pot preparation of some alpha-hydroxycarboxylic acid esters. Helvetica Chimica Acta, 90(7):1279-1288.

Sommen, G L; Linden, Anthony; Heimgartner, H (2007). Selenium-Containing heterocycles from isoselenocyanates: synthesis of 5-Amino-2,4-dihydro-3H-1,2,4-triazole-3-selones. Helvetica Chimica Acta, 90(4):641-651.

Sommen, G L; Linden, Anthony; Heimgartner, H (2007). Selenium-containing heterocycles from Isoselenocyanates: Synthesis of 1,3-Selenazinane and 1,3-Selenazinanone derivatives. Helvetica Chimica Acta, 90(3):472-487.

Sommen, G L; Linden, Anthony; Heimgartner, H (2007). Selenium-containing heterocycles from isoselenocyanates: Base-catalyzed reaction of malononitrile with phenyl isoselenocyanate and bromoacetonitrile or alpha-halogenated ketones. Helvetica Chimica Acta, 90(10):1849-1855.

Freisinger, Eva (2007). Spectroscopic characterization of a fruit-specific metallothionein: M. acuminata MT3. Inorganica Chimica Acta, 360(1):369-380.

Jasiński, M; Mlostoń, Grzegorz; Mucha, P; Linden, Anthony; Heimgartner, H (2007). Synthesis of new Bis-imidazole derivatives. Helvetica Chimica Acta, 90(9):1765-1780.

Mlostoń, Grzegorz; Heimgartner, H (2007). The first reaction of Dimethoxycarbene with an imine moiety. Helvetica Chimica Acta, 90(9):1758-1764.

Nikolaev, V V; Linden, Anthony; Heimgartner, H (2007). Thermolysis of imidates: A new method for the generation of carbonyl ylides. Helvetica Chimica Acta, 90(12):2330-2341.

Gallo, S; Freisinger, E; Sigel, Roland K O (2007). Towards the synthesis of light-stable coenzyme B12 analogs. Inorganica Chimica Acta, 360(1):360-368.

2006

Iannuzzi, M (2006). Proton transfer in imidazole-based molecular crystals. Journal of Chemical Physics, 124(20):204710.

Knobloch, B; Sigel, H; Okruszek, A; Sigel, Roland K O (2006). Acid–base properties of the nucleic-acid model 2′-deoxyguanylyl(5′→3′)-2′-deoxy-5′-guanylate, d(pGpG)3–, and of related guanine derivatives. Organic & Biomolecular Chemistry, 4(6):1085-1090.

Willermann, M; Mulcahy, C; Sigel, Roland K O; Cerdà, M M; Freisinger, E; Sanz Miguel, P J; Roitzsch, M; Lippert, B (2006). Pyrazine as a building block for molecular architectures with PtII. Inorganic Chemistry, 45(5):2093-2099.

Bakó, I; Hutter, J; Pálinkás, G (2006). Car-Parrinello molecular dynamics simulation of liquid formic acid. Journal of Physical Chemistry. A, 110(6):2188-2194.

McGrath, M J; Siepmann, J I; Kuo, I F W; Mundy, C J; VandeVondele, J; Hutter, J; Mohamed, F; Krack, M (2006). Simulating fluid-phase equilibria of water from first principles. Journal of Physical Chemistry. A, 110(2):640-646.

He, Y B; Seitsonen, A P; Over, H (2006). Ultrathin Rh films on Ru(0001): oxidation in confinement. Journal of Chemical Physics, 124(3):034706.

Egli, D H; Linden, Anthony; Heimgartner, H (2006). 1,5-Dipolar electrocyclizations in reactions of alpha-Thioxo Ketones and alpha-Thioxo Thioamides with Diazo compounds. Helvetica Chimica Acta, 89(9):1910-1926.

Rodríguez-Fortea, Antonio; Iannuzzi, Marcella; Parrinello, Michele (2006). Ab Initio Molecular Dynamics Study of Heterogeneous Oxidation of Graphite by Means of Gas-Phase Nitric Acid. Journal of Physical Chemistry B, 110(8):3477-3484.

Iannuzzi, M; Kirchner, B; Hutter, J (2006). Density functional embedding for molecular systems. Chemical Physics Letters, 421(1-3):16-20.

Kirchner, B; Seitsonen, A P; Hutter, J (2006). Ionic liquids from Car-Parrinello simulations, part I: Liquid AlCl3. Journal of Physical Chemistry. B, 110(23):11475-11480.

Pagliai, M; Iannuzzi, M; Cardini, G; Parrinello, M; Schettino, V (2006). Lithium hydroxide phase transition under high pressure: an ab initio molecular dynamics study. ChemPhysChem, 7(1):141-147.

Todorova, T; Seitsonen, A P; Hutter, J; Kuo, I F W; Mundy, C J (2006). Molecular dynamics simulation of liquid water: Hybrid density functionals. Journal of Physical Chemistry. B, 110(8):3685-3691.

Stamm, S; Heimgartner, H (2006). Novel N-(2,2-Dimethyl-2H-azirin-3-yl)-L-prolinates as Aib-Pro Synthons. Helvetica Chimica Acta, 89(9):1841-1855.

Iliev, Boyan; Linden, Anthony; Heimgartner, Heinz (2006). Reaction of gamma-Hydroxy-N-[1-(dimethylcarbamoyl)ethyl]butanamides under the ‘Direct Amide Cyclization’ Conditions. Helvetica Chimica Acta, 89(1):153-175.

Mlostoń, Grzegorz; Jasiński, M; Linden, Anthony; Heimgartner, H (2006). Reactions of 2-unsubstituted 1H-Imidazole 3-Oxides with 2,2- Bis(trifluoromethyl)ethene-1,1-dicarbonitrile: A stepwise 1,3-dipolar Cycloaddition. Helvetica Chimica Acta, 89(7):1304-1316.

Majchrzak, A; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, H (2006). Reactions of Chlorosulfanyl Derivatives of Cyclobutanones with Different Nucleophiles. Helvetica Chimica Acta, 89(5):1042-1061.

Egli, D H; Linden, Anthony; Heimgartner, H (2006). Reactions of Thioketones possessing a conjugated C=C bond with Diazo compounds. Helvetica Chimica Acta, 89(12):3041-3055.

Egli, D H; Linden, Anthony; Heimgartner, H (2006). Reactions of alpha,beta-unsaturated Thioamides with Diazo compounds. Helvetica Chimica Acta, 89(11):2815-2824.

Fedorov, A; Fu, C; Heimgartner, H (2006). Regio- and stereoselectivity in the Lewis acid- and NaH-induced reactions of thiocamphor with (R)-2-vinyloxirane. Helvetica Chimica Acta, 89(3):456-467.

Nikolaev, V V; Heimgartner, H; Linden, Anthony; Krylov, I S; Nikolaev, V A (2006). RhII-catalyzed reactions of Diazocarbonyl compounds with Dicarboximides. European Journal of Organic Chemistry, 2006(20):4737-4746.

Sommen, G L; Linden, Anthony; Heimgartner, H (2006). Selenium-containing Heterocycles from Isoselenocyanates: Use of Hydrazine for the synthesis of 1,3,4-Selenadiazine derivatives. Helvetica Chimica Acta, 89(7):1322-1329.

Köttgen, P; Linden, Anthony; Heimgartner, H (2006). Synthesis of Enniatin-like Cyclic Depsipeptides via direct Amide Cyclization. Helvetica Chimica Acta, 89(4):731-746.

Mlostoń, Grzegorz; Heimgartner, H (2006). The first ring-enlargement of a 1-Azabicyclo[1.1.0]butane to a 1-Azabicyclo[2.1.1]hexane. Helvetica Chimica Acta, 89(3):442-449.

Stamm, Simon; Linden, Anthony; Heimgartner, Heinz (2006). The ‘Azirine/Oxazolone Method’ on solid phase: Introduction of various alpha,alpha-disubstituted alpha-Amino Acids. Helvetica Chimica Acta, 89(1):1-15.

Iliev, Boyan; Verma, Sanjiv; Linden, Anthony; Heimgartner, Heinz (2006). Transformation of 5-Hydroxy- to (5-Chloropentanoyl)amino Derivatives under ‘Direct Amide Cyclization’ Conditions. Helvetica Chimica Acta, 89(2):352-359.

2005

Hutter, J; Curioni, A (2005). Car-Parrinello molecular dynamics on massively parallel computers. ChemPhysChem, 6(9):1788-1793.

Marti, N; Spingler, Bernhard; Breher, F; Schibli, R (2005). Comparative studies of substitution reactions of rhenium(I) dicarbonyl-nitrosyl and tricarbonyl complexes in aqueous media. Inorganic Chemistry, 44(17):6082-6091.

Safi, B; Mertens, J; De Proft, F; Alberto, R; Geerlings, P (2005). Relative stability of mixed [3 + 1] Tc and Re complexes: a computational and conceptual DFT study. Journal of Physical Chemistry. A, 109(9):1944-1951.

Spingler, Bernhard (2005). Anions or cations: Who is in charge of inhibiting the nickel(II) promoted B- to Z-DNA transition? Inorganic Chemistry, 44(4):831-833.

Schibli, R; Marti, N; Maurer, P; Spingler, Bernhard; Lehaire, M L; Gramlich, V; Barnes, C L (2005). Syntheses and characterization of dicarbonyl-nitrosyl complexes of technetium(I) and rhenium(I) in aqueous media: Spectroscopic, structural, and DFT analyses. Inorganic Chemistry, 44(3):683-690.

Tabacchi, G; Hutter, J; Mundy, C J (2005). A density-functional approach to polarizable models: A Kim-Gordon response density interaction potential for molecular simulations. Journal of Chemical Physics, 123(7):074108.

Brun, Kathrin A; Heimgartner, Heinz (2005). A new 2H-Azirin-3-amine as a synthon for 2-Methylaspartate. Helvetica Chimica Acta, 88(11):2951-2959.

Philipova, Irena; Linden, Anthony; Heimgartner, Heinz (2005). Application of the "Direct Amide Cyclization" to Peptides Containing an Anthranilic Acid Residue. Helvetica Chimica Acta, 88:1711-1733.

McGrath, M J; Siepmann, J I; Kuo, I F W; Mundy, C J; VandeVondele, J; Hutter, J; Mohamed, F; Krack, M (2005). Isobaric-isothermal Monte Carlo simulations from first principles: Application to liquid water at ambient conditions. ChemPhysChem, 6(9):1894-1901.

Sulpizi, M; Rohrig, U F; Hutter, J; Röthlisberger, U (2005). Optical properties of molecules in solution via hybrid TDDFT/MM simulations. International Journal of Quantum Chemistry, 101(6):671-682.

Fedorov, Alexey; Fu, Changchun; Linden, Anthony; Heimgartner, Heinz (2005). Reaction of Thioketones with (R)-2-Vinyloxirane: Regio- and Stereoselective Formation of (S)-4-Vinyl-1,3-oxathiolanes. European Journal of Organic Chemistry:1613-1619.

Malaschichin, Sergej; Fu, Changchun; Linden, Anthony; Heimgartner, Heinz (2005). Ring enlargement and sulfur-transfer processes in SiO2-catalyzed reactions of thiocarbonyl compounds with optically active oxiranes. Helvetica Chimica Acta, 88(12):3253-3262.

Sommen, Geoffroy L; Linden, Anthony; Heimgartner, Heinz (2005). Selenium-Containing Heterocycles From Isoselenocyanates: Synthesis of 1,3-Selenazolidine and Perhydro-1,3-selenazine Derivatives. European Journal of Organic Chemistry, (14):3128-3137.

Sommen, Geoffroy L; Linden, Anthony; Heimgartner, Heinz (2005). Selenium-Containing Heterocycles from Isoselenocyanates: Cycloaddition of Carbodiimides to Selenazetidines. Helvetica Chimica Acta, 88(4):766-773.

Hafliger, P; Mundwiler, S; Ortner, K; Spingler, Bernhard; Alberto, R; Andocs, G; Balogh, L; Bodo, K (2005). Structure, stability, and biodistribution of cationic M(CO)(3)](+) (M = Re, Tc-99, Tc-99m) complexes with tridentate amine ligands. Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry, 35(1):27-34.

Mlostoń, Grzegorz; Majchrzak, Agnieszka; Rutkowska, Marzena; Woznicka, Marta; Linden, Anthony; Heimgartner, Heinz (2005). Synthesis and reactions of a new cyclobutanethione derivative. Helvetica Chimica Acta, 88(10):2624-2636.

VandeVondele, J; Mohamed, F; Krack, M; Hutter, J; Sprik, M; Parrinello, M (2005). The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water. Journal of Chemical Physics, 122(1):014515.

Urbaniak, Katarzyna; Mlostoń, Grzegorz; Gulea, Mihaela; Masson, Serge; Linden, Anthony; Heimgartner, Heinz (2005). Thio- and Dithioesters as Dipolarophiles in reactions with Thiocarbonyl Ylides. European Journal of Organic Chemistry, 2005(8):1604-1612.

Mlostoń, Grzegorz; Urbaniak, Katarzyna; Gulea, Mihaela; Masson, Serge; Linden, Anthony; Heimgartner, Heinz (2005). [2+3]-Cycloadditions of Phosphonodithioformate S-Methanides with C=S, N=N, and C=C Dipolarophiles. Helvetica Chimica Acta, 88(10):2582-2592.

Stirling, A; Iannuzzi, M; Parrinello, M; Molnar, F; Bernhart, V; Luinstra, G A (2005). β-Lactone synthesis from epoxide and CO: reaction mechanism revisited. Organometallics, 24(10):2533-2537.

2004

van Staveren, D R; Mundwiler, S; Hoffmanns, U; Pak, Jae Kyoung; Spingler, B; Metzler-Nolte, N; Alberto, R (2004). Conjugation of a novel histidine derivative to biomolecules and labelling with [99mTc(OH2)3(CO)3]+. Organic & Biomolecular Chemistry, 2(18):2593-2603.

Guintchin, Boris K; Bienz, Stefan (2004). Enantioselective synthesis of di-, tri-, and tetrasubstituted allenylsilanes. Organometallics, 23(21):4944-4951.

Bernasconi, L; Sprik, M; Hutter, J (2004). Hartree–Fock exchange in time dependent density functional theory: application to charge transfer excitations in solvated molecular systems. Chemical Physics Letters, 394(1-3):141-146.

Kurz, P; Spingler, B; Fox, T; Alberto, R (2004). [TcI(CN)3(CO)3]2- and [ReI(CN)3(CO)3]2- :case studies for the binding properties of CN- and CO. Inorganic Chemistry, 43(13):3789-3791.

Trzoss, Michael; Shao, Jie; Bienz, Stefan (2004). Preparation of a `Si-centered' chiral auxiliary by resolution. Tetrahedron: Asymmetry, 15(9):1501-1505.

Zobi, F; Hohl, M; Zimmermann, I; Alberto, R (2004). Binding of 9-methylguanine to [cis-Ru(2,2'-bpy)2]2+: First X-ray structure of a cis-bis purine complex of ruthenium. Inorganic Chemistry, 43(9):2771-2772.

Zobi, F; Blacque, Olivier; Schmalle, H W; Spingler, B; Alberto, R (2004). Head-to-head (HH) and head-to-tail (HT) conformers of cis-bis guanine ligands bound to the [Re(CO)3]+ core. Inorganic Chemistry, 43(6):2087-2096.

Santos, I G; Abram, U; Alberto, R; Lopez, E V; Sanchez, A (2004). Tricarbonylrhenium(I) complexes with thiosemicarbazone derivatives of 2-acetylpyridine and 2-pyridine formamide showing two unusual coordination modes of tridentate thiosemicarbazone ligands. Inorganic Chemistry, 43(6):1834-1836.

Kuzelka, J; Mukhopadhyay, S; Spingler, Bernhard; Lippard, S J (2004). Synthesis and characterization of Cu-2(I,I), Cu-2(I,II), and Cu-2(II,II), compounds supported by two phthalazine-based ligands: Influence of a hydrophobic pocket. Inorganic Chemistry, 43(5):1751-1761.

Liang, F; Schmalle, H W; Berke, Heinz (2004). Insertion reactions of trans-Mo(dmpe)2(H)(NO) with imines. Inorganic Chemistry, 43(3):993-999.

Grundler, P V; Salignac, B; Cayemittes, S; Alberto, R; Merbach, A E (2004). Mechanistic changeover for the water substitution on fac-[(CO)3Re(H2O)3]+ revealed by high-pressure NMR. Inorganic Chemistry, 43(3):865-873.

Over, H; Knapp, M; Lundgren, E; Seitsonen, A P; Schmid, M; Varga, P (2004). Visualization of atomic processes on ruthenium dioxide using scanning tunneling microscopy. ChemPhysChem, 5(2):167-174.

Reetz, Manfred T; Torre, Claudia; Eipper, Andreas; Lohmer, Renate; Hermes, Marcus; Brunner, Birgit; Maichele, Andrea; Bocola, Marco; Arand, Michael; Cronin, Annette; Genzel, Yvonne; Archelas, Alain; Furstoss, Roland (2004). Enhancing the enantioselectivity of an epoxide hydrolase by directed evolution. Organic Letters, 6(2):177-180.

Hilty, Florentine M; Brun, Kathrin A; Heimgartner, Heinz (2004). A New 2H-Azirin-3-amine as a Synthon for α-Methyl Glutamate. Helvetica Chimica Acta, 87(10):2539-2548.

Churakov, Sergey V; Iannuzzi, Marchella; Parrinello, Michele (2004). Ab Initio Study of Dehydroxylation−Carbonation Reaction on Brucite Surface. Journal of Physical Chemistry B, 108(31):11567-11574.

Mekhael, Maged K G; Bienz, Stefan; Linden, Anthony; Heimgartner, Heinz (2004). Azirine/Oxindole ring enlargement via Amidinium intermediates. Helvetica Chimica Acta, 87(9):2385-2404.

Stirling, A; Iannuzzi, Marcella; Laio, Alessandro; Parrinello, Michele (2004). Azulene-to-Naphthalene Rearrangement: The Car-Parrinello Metadynamics Method Explores Various Reaction Mechanisms. ChemPhysChem, 5(10):1558-1568.

Knapp, M; Seitsonen, A P; Kim, Y D; Over, H (2004). Catalytic activity of the RuO2(100) surface in the oxidation of CO. Journal of Physical Chemistry. B, 108(38):14392-14397.

Atanassov, Plaen K; Linden, Anthony; Heimgartner, Heinz (2004). Derivatives from Isoselenocyanates: Synthesis of 2-Phenyl-6H-[5,1,3]benzoselenadiazocine. Helvetica Chimica Acta, 87:1452-1466.

Bienz, Stefan; Hesse, Manfred (2004). Eine neue Synthese von Muscon undExalton®: Die Enamin-Route der Ringerweiterungsreaktion. Helvetica Chimica Acta, 71(7):1704-1707.

Monterde, Maria I; Lombard, Murielle; Archelas, Alain; Cronin, Annette; Arand, Michael; Furstoss, Roland (2004). Enzymatic transformations. Part 58: Enantioconvergent biohydrolysis of styrene oxide derivatives catalysed by the Solanum tuberosum epoxide hydrolase. Tetrahedron: Asymmetry, 15(18):2801-2805.

Kuo, I F W; Mundy, C J; McGrath, M J; Siepmann, I J; VandeVondele, J; Sprik, M; Hutter, J; Chen, B; Klein, M L; Mohamed, F; Krack, M; Parrinello, M (2004). Liquid water from first principles: investigation of different sampling approaches. Journal of Physical Chemistry. B, 108(34):12990-12998.

Fässler, Jürg; Huber, Priska; Bratovanov, Svetoslav; Bigler, Laurent; Bild, Norbert; Bienz, Stefan (2004). Neighboring-Group participation in the gas phase. Loss of benzaldehyde from [(benzyloxy)methyl]dialkylsilyl-substituted 1,3-dithianes. Helvetica Chimica Acta, 78(7):1855-1862.

Urbaniak, Katarzyna; Szymański, Radoslaw; Romański, Jaroslaw; Mlostoń, Grzegorz; Domagala, Malgorzata; Linden, Anthony; Heimgartner, Heinz (2004). New Studies on [2 + 3] Cycloadditions of Thermally Generated N-Isopropyl- and N-(4-Methoxyphenyl)-Substituted Azomethine Ylides. Helvetica Chimica Acta, 87:496-510.

Majchrzak, Agnieszka; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (2004). Reactions of Sulfanyl Chlorides with Thiocamphor and Thiofenchone: Wagner-Meerwein Rearrangement of an Intermediate Thiocarbonylium Ion. Helvetica Chimica Acta, 87:790-799.

Fu, Changchun; Linden, Anthony; Heimgartner, Heinz (2004). Regio- and stereoselective 1,3-Oxathiolane formation in the reaction of Thiolactones with optically active oxiranes. Helvetica Chimica Acta, 87(9):2296-2309.

Clair, S; Pons, S; Seitsonen, A P; Brune, H; Kern, K; Barth, J V (2004). STM study of terephthalic acid self-assembly on Au(111): Hydrogen-bonded sheets on an inhomogeneous substrate. Journal of Physical Chemistry. B, 108(38):14585-14590.

Kirchner, B; Hutter, J (2004). Solvent effects on electronic properties from Wannier functions in a dimethyl sulfoxide/water mixture. Journal of Chemical Physics, 121(11):5133-5142.

Bienz, Stefan; Guggisberg, Armin; Wälchli, Rudolf; Hesse, Manfred (2004). Synthese der Spermidin-Alkaloide (±)-Inandenin-10-ol, Inandenin-10-on und (±)-Oncinotin. Helvetica Chimica Acta, 71(7):1708-1718.

Wälchli, Rudolf; Bienz, Stefan; Hesse, Manfred (2004). Synthese macrocyclischer Lactame aus Ketonen durch Ringerweiterung. Helvetica Chimica Acta, 68(2):484-492.

Bienz, Stefan; Hesse, Manfred (2004). Synthese makrocyclischer Ketone durch Ringerweiterung; ein neuer Weg zu$(\pm)$-Muscon. Helvetica Chimica Acta, 70(8):2146-2151.

Moricz, Attila; Gassmann, Elisabeth; Bienz, Stefan; Hesse, Manfred (2004). Synthesis of $\pm$-pyrenolide B. Helvetica Chimica Acta, 78(3):663-669.

Atanassov, Plamen K; Linden, Anthony; Heimgartner, Heinz (2004). Synthesis of 4-(Phenylamino)quinazoline-2(1H)-selones and Diselenides from Isoselenocyanates: Dimroth Rearrangement of an Intermediate. Helvetica Chimica Acta, 87(7):1873-1887.

Jeremic, Tatjana; Linden, Anthony; Heimgartner, Heinz (2004). Synthesis of Cyclohexapeptides containing Pro and Aib residues. Helvetica Chimica Acta, 87(12):3056-3079.

Stamm, Simon; Heimgartner, Heinz (2004). The "Azirine/Oxazolone Method" under solid-phase conditions. European Journal of Organic Chemistry, 2004(18):3820-3827.

Gademann, Karl; Bethuel, Yann (2004). Total Synthesis of Anachelin H. Organic Letters, 6(25):4707-4710.

Smith, Richard J; Bienz, Stefan (2004). Towards Functionalized Silicon-Containingα-Amino Acids: Asymmetric Syntheses of Sila Analogs of Homoserine and Homomethionine. Helvetica Chimica Acta, 87(7):1681-1696.

Tzouros, Manuel; Bigler, Laurent; Bienz, Stefan; Hesse, Manfred; Inada, Akira; Murata, Hiroko; Inatomi, Yuka; Nakanishi, Tsutomu; Darnaedi, Dedy (2004). Two new spermidine alkaloids from Chisocheton weinlandii. Helvetica Chimica Acta, 87(6):1411-1425.

Odelius, M; Kirchner, B; Hutter, J (2004). s-tetrazine in aqueous solution: A density functional study of hydrogen bonding and electronic excitations. Journal of Physical Chemistry. A, 108(11):2044-2052.

2003

Bernasconi, L; Sprik, M; Hutter, J (2003). Time dependent density functional theory study of charge-transfer and intramolecular electronic excitations in acetone–water systems. Journal of Chemical Physics, 119(23):12417.

Franceschini, P L; Morstein, M; Berke, Heinz; Schmalle, H W (2003). Volatile beta-ketoiminato- and beta-diketiminato-based zirconium complexes as potential MOCVD precursors. Inorganic Chemistry, 42(22):7273-7282.

Wang, W W; Spingler, Bernhard; Alberto, R (2003). Reactivity of 2-pyridine-aldehyde and 2-acetyl-pyridine coordinated to Re(CO)(3)](+) with alcohols and amines: metal mediated Schiff base formation and dimerization. Inorganica Chimica Acta, 355:386-393.

Kuzelka, J; Mukhopadhyay, S; Spingler, Bernhard; Lippard, S J (2003). Modeling features of the non-heme diiron cores in O-2-activating enzymes through the synthesis, characterization, and oxidation of 1,8-naphthyridine-based complexes. Inorganic Chemistry, 42(20):6447-6457.

Odelius, M; Laikov, D; Hutter, J (2003). Excited state geometries within time-dependent and restricted open-shell density functional theories. Journal of Molecular Structure THEOCHEM, 630(1-3):163-175.

Salignac, B; Grundler, P V; Cayemittes, S; Frey, U; Scopelliti, R; Merbach, A E; Hedinger, R; Hegetschweiler, K; Alberto, R; Prinz, U; Raabe, G; Kölle, U; Hall, S (2003). Reactivity of the organometallic fac-[(CO)3ReI(H2O)3]+ aquaion. Kinetic and thermodynamic properties of H2O substitution. Inorganic Chemistry, 42(11):3516-3526.

Zobi, F; Spingler, B; Fox, T; Alberto, R (2003). Toward novel DNA binding metal complexes: structure and basic kinetic data of [M(9MeG)2(CH3OH)(CO)3]+(M = 99Tc, Re). Inorganic Chemistry, 42(9):2818-2820.

Boerzel, H; Koeckert, M; Bu, W M; Spingler, Bernhard; Lippard, S J (2003). Zinc-bound thiolate-disulfide exchange: A strategy for inhibiting metallo-beta-lactamases. Inorganic Chemistry, 42(5):1604-1615.

Bernard, J; Ortner, K; Spingler, B; Pietzsch, H J; Alberto, R (2003). Aqueous synthesis of derivatized cyclopentadienyl complexes of technetium and rhenium directed toward radiopharmaceutical application. Inorganic Chemistry, 42(4):1014-1022.

Fu, Changchun; Linden, Anthony; Heimgartner, Heinz (2003). 1,3-Oxathiolanes from the reaction of aromatic and enolized thioketones with monosubstituted oxiranes. Helvetica Chimica Acta, 86:2833-2847.

Mekhael, Maged K G; Heimgartner, Heinz (2003). A Novel Synthetic Approach to (±)-Desoxynoreseroline. Helvetica Chimica Acta, 86:2805-2813.

Sulpizi, M; Carloni, P; Hutter, J; Röthlisberger, U (2003). A hybrid TDDFT/MM investigation of the optical properties of aminocoumarins in water and acetonitrile solution. Physical Chemistry Chemical Physics (PCCP), 5(21):4798-4805.

Reiher, M; Kirchner, B (2003). A wavefunction-based criterion for the detection of intermolecular interactions in molecular dynamics simulations. Journal of Physical Chemistry. A, 107(20):4141-4146.

VandeVondle, J; Hutter, J (2003). An efficient orbital transformation method for electronic structure calculations. Journal of Chemical Physics, 118(10):4365-4369.

Iliev, Boyan; Linden, Anthony; Heimgartner, Heinz (2003). An unexpected formation of a 14-membered Cyclodepsipeptide. Helvetica Chimica Acta, 86(9):3215-3234.

Stamm, Simon; Linden, Anthony; Heimgartner, Heinz (2003). Chiral Heterospirocyclic 2H-Azirin-3-amines as Synthons for 3-Amino-2,3,4,5-tetrahydrofuran-3-carboxylic Acid and Their Use in Peptide Synthesis. Helvetica Chimica Acta, 86:1371-1396.

Müller, Jens; Freisinger, Eva; Sanz Miguel, Pablo J; Lippert, Bernhard (2003). Diplatinum(III) Complexes with Four Bridging 1-Methylcytosinato Nucleobases Derived from a Mononucleartrans-(NH3)2PtIIComplex and CuII. Inorganic Chemistry, 42(17):5117-5125.

Hutter, J (2003). Excited state nuclear forces from the Tamm–Dancoff approximation to time-dependent density functional theory within the plane wave basis set framework. Journal of Chemical Physics, 118(9):3928.

Röhrig, U F; Frank, I; Hutter, J; Laio, A; VandeVondele, J; Röthlisberger, U (2003). QM/MM Car-Parrinello Molecular Dynamics Study of the Solvent Effects on the Ground State and on the First Excited Singlet State of Acetone in Water. ChemPhysChem, 4(11):1117-1182.

Majchrzak, Agnieszka; Janczak, Aleksandra; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (2003). Reactions of stable alpha-chlorosulfanyl chlorides with C=S-functionalized compounds. Helvetica Chimica Acta, 86:2272-2283.

Fu, Changchun; Linden, Anthony; Heimgartner, Heinz (2003). Regio- and Stereoselectivity of the SiO2-Catalyzed Reaction of Thiocamphor (= 1,7,7-Trimethylbicyclo[2.2.1]heptane-2-thione) with Optically Active Monosubstituted Oxiranes. Helvetica Chimica Acta, 86:2258-2271.

Atanassov, Plamen K; Linden, Anthony; Heimgartner, Heinz (2003). Selenium-containing heterocycles from Isoselenocyanates: Synthesis of 1H-5-Selena-1,3,6-triazaaceanthrylene derivatives. Helvetica Chimica Acta, 86(9):3235-3243.

Elwan, Nehal M; Awad, Enas M; Hassaneen, Hamdi M; Linden, Anthony; Heimgartner, Heinz (2003). Synthesis of 1,2,4-Triazolo[4,3-a]pyrimidine Derivatives by Cyclocondensation of a 2-Thioxopyrimidin-4(3H)-one with Hydrazonoyl Halides. Helvetica Chimica Acta, 86:739-749.

Luykx, Roeland T N; Linden, Anthony; Heimgartner, Heinz (2003). Synthesis of a Derivative of the Peptaibol-Antibiotic Trichovirin I 1B by means of the 'Azirine/Oxazolone Method'. Helvetica Chimica Acta, 86(12):4093-4111.

2002

Kirchner, B; Hutter, J (2002). The structure of a DMSO–water mixture from Car–Parrinello simulations. Chemical Physics Letters, 364(5-6):497-502.

Kuzelka, J; Spingler, Bernhard; Lippard, S J (2002). Carboxylate-bridged diiron(II) complexes with a sterically hindered phthalazine ligand. Inorganica Chimica Acta, 337:212-222.

Smith, Richard J; Trzoss, Michael; Bühl, Michael; Bienz, Stefan (2002). The cram rule revisited once more — revision of the Felkin−Anh Model. European Journal of Organic Chemistry, 2002(16):2770-2775.

Garcia, R; Domingos, A; Paulo, A; Santos, I G; Alberto, R (2002). Reactivity of [Re[kappa(3)-H(mu-H)B(tim(Me))(2)](CO)(3)] (tim(Me) = 2-mercapto-1-methylimidazolyl) toward neutral substrates. Inorganic Chemistry, 41(9):2422-2428.

Berghold, G; Parrinello, M; Hutter, J (2002). Polarized atomic orbitals for linear scaling methods. Journal of Chemical Physics, 116(5):1800-1810.

Lee, D; Hung, P L; Spingler, Bernhard; Lippard, S J (2002). Sterically hindered carboxylate ligands support water-bridged dimetallic centers that model features of metallohydrolase active sites. Inorganic Chemistry, 41(3):521-531.

Mlostoń, Grzegorz; Urbaniak, Katarzyna; Heimgartner, Heinz (2002). 1,3-Thiazolidine-dicarboxylates from Thioketones and Thermally Generated Azomethine Ylides. Helvetica Chimica Acta, 85:2056-2064.

Bakó, I; Hutter, J; Pálinkás, G (2002). Car–Parrinello molecular dynamics simulation of the hydrated calcium ion. Journal of Chemical Physics, 117(21):9838-9843.

Tabacchi, G; Mundy, C J; Hutter, J; Parrinello, M (2002). Classical polarizable force fields parametrized from ab initio calculations. Journal of Chemical Physics, 117(4):1416-1433.

Kampf, Gunnar; Willermann, Michael; Freisinger, Eva; Lippert, Bernhard (2002). Diplatinum(III) complexes with bridging 1-methylcytosinate ligands and variable axial ligands, including guanine nucleobases. Inorganica Chimica Acta, 330(1):179-188.

Breitenmoser, Roland A; Linden, Anthony; Heimgartner, Heinz (2002). Formation of 1,3-Thiazol-5(4H)-imines and 1,3-Oxazol-5(4H)-imines in Aib-Containing Thiopeptides. Helvetica Chimica Acta, 85:990-1018.

Sigel, Roland K O; Freisinger, E; Abbate, M; Lippert, B (2002). Hydrogen bonding patterns of 7,9-dimethylguanine and its transplatinum(II) complexes. Inorganica Chimica Acta, 339:355-365.

Brüning, Wolfgang; Ascaso, Ivana; Freisinger, Eva; Sabat, Michal; Lippert, Bernhard (2002). Metal-stabilized rare tautomers of nucleobases. 8. Promotion of rare cytosine tautomer upon complex formation with (dien)M2+ (M=Pt, Pd). Inorganica Chimica Acta, 339:400-410.

Brun, Kathrin A; Linden, Anthony; Heimgartner, Heinz (2002). New Optically Active 2H-Azirin-3-amines as Synthons for Enantiomerically Pure 2,2-Disubstituted Glycines: Synthesis of Synthons for Tyr(2Me) and Dopa(2Me), and Their Incorporation into Dipeptides. Helvetica Chimica Acta, 85:3422-3443.

Awad, Enas M; Elwan, Nehal M; Hassaneen, Hamdi M; Linden, Anthony; Heimgartner, Heinz (2002). New Routes to Fused Isoquinolines. Helvetica Chimica Acta, 85:320-332.

Riera, X; Moreno, V; Freisinger, E; Lippert, B (2002). Pd(II) and Pt(II) (R,S)-3-aminopyrrolidine complexes. Reactions with 9-ethylguanine and study of their antiproliferative activity. Inorganica Chimica Acta, 339:253-264.

Gillet, L C J; Schärer, O D (2002). Preparation of C8-amine and acetylamine adducts of 2'-deoxyguanosine suitably protected for DNA synthesis. Organic Letters, 4(24):4205-4208.

Gendek, Tomasz; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (2002). Reaction of thiocarbonyl S-methylides with acetylenic dipolarophiles and an unexpected rearrangement of the cycloadducts. Helvetica Chimica Acta, 85:451-463.

Manov, Nikolay; Tzouros, Manuel; Chesnov, Sergiy; Bigler, Laurent; Bienz, Stefan (2002). Solid-Phase Synthesis of Polyamine Spider Toxins and Correlation with the Natural Products by HPLC-MS/MS. Helvetica Chimica Acta, 85(9):2827-2846.

Mlostoń, Grzegorz; Prakash, G K Surya; Olah, George A; Heimgartner, Heinz (2002). Studies on Reactions of Thioketones with Trimethyl(trifluoromethyl)silane Catalyzed by Fluoride Ions. Helvetica Chimica Acta, 85:1644-1658.

Breitenmoser, Roland A; Heimgartner, Heinz (2002). Synthesis and Use of 2H-Azirin-3-amines as Dipeptide Synthons. Helvetica Chimica Acta, 85:885-912.

Atanassov, Plamen K; Zhou, Yuehui; Linden, Anthony; Heimgartner, Heinz (2002). Synthesis of Bis(2,4-diarylimidazol-5-yl) Diselenides from N-Benzylbenzimidoyl Isoselenocyanates. Helvetica Chimica Acta, 85:1102-1117.

Gebert, Andreas; Heimgartner, Heinz (2002). Synthesis of an Enantiomerically Pure 1,3-Thiazole-5(4H)-thione and Its Stereoselective 1,3-Dipolar Cycloaddition with an Azomethine Ylide. Helvetica Chimica Acta, 85:2073-2081.

Mlostoń, Grzegorz; Heimgartner, Heinz (2002). Thiocarbonyl Ylides. In: Padwa, A; Pearson, W H. Synthetic Applications of 1,3-Dipolar Cycloaddition Chemistry Toward Heterocycles and Natural Products. New York: John Wiley & Sons, Inc., 315-360.

Mlostoń, Grzegorz; Urbaniak, Katarzyna; Linden, Anthony; Heimgartner, Heinz (2002). Unexpected Formation of Dimethylthioketene Cycloadducts in the Reaction of 1,3-Diphenylaziridine-2,2-dicarboxylate with Cyclobutanethione Derivatives. Helvetica Chimica Acta, 85:2644-2656.

2001

Hillier, A C; Jacobsen, H; Gusev, D; Schmalle, H W; Berke, H G (2001). [[Fe(PEt(3))(3)](2)(mu-H)(6)B][BPh(4)]: a complex containing octahedral hypercoordinate boron. Inorganic Chemistry, 40(24):6334-6337.

Spingler, Bernhard; Whittington, D A; Lippard, S J (2001). 2.4 angstrom crystal structure of an oxaliplatin 1,2-d(GpG) intrastrand cross-link in a DNA dodecamer duplex. Inorganic Chemistry, 40(22):5596-5602.

Correia, J D; Domingos, A; Santos, I G; Alberto, R; Ortner, K (2001). Re tricarbonyl complexes with ligands containing P,N,N and P,N,O donor atom sets: synthesis and structural characterization. Inorganic Chemistry, 40(20):5147-5151.

Mizoguchi, T J; Kuzelka, J; Spingler, B; DuBois, J L; Davydov, R M; Hedman, B; Hodgson, K O; Lippard, S J (2001). Synthesis and spectroscopic studies of non-heme diiron(III) species with a terminal hydroperoxide ligand: Models for hemerythrin. Inorganic Chemistry, 40(18):4662-4673.

Franz, K J; Doerrer, L H; Spingler, Bernhard; Lippard, S J (2001). Pentacoordinate cobalt(III) thiolate and nitrosyl tropocoronand compounds. Inorganic Chemistry, 40(15):3774-3780.

Spingler, Bernhard; Scanavy-Grigorieff, M; Werner, A; Berke, H; Lippard, S J (2001). Crystal structure determination of a (mu-amido)(mu-hydroxo)(mu-superoxo)dicobalt(III) complex from the Werner collection. Inorganic Chemistry, 40(5):1065-1066.

Breitenmoser, Roland A; Hirt, Thomas R; Luykx, Roeland T N; Heimgartner, Heinz (2001). A Novel 2H-Azirin-3-amine as a Dipeptide (Aib-Hyp) Synthon. Helvetica Chimica Acta, 84(4):972-979.

Koch, Kristian N; Hopp, Gudrun; Linden, Anthony; Moehle, Kerstin; Heimgartner, Heinz (2001). Conformational Analysis of the Cyclic Pentadepsipeptide Cyclo(Tro-Aib-Aib-Aib-Aib) in the Solid State and in Solution. Helvetica Chimica Acta, 84(2):502-512.

Smith, Richard J; Pietzsch, Markus; Waniek, Thomas; Syldatk, Christoph; Bienz, Stefan (2001). Enzymatic synthesis of enantiomerically enriched d- and l-3-silylated alanines by deracemization of dl-5-silylmethylated hydantoins. Tetrahedron: Asymmetry, 12(1):157-165.

Brun, Kathrin A; Linden, Anthony; Heimgartner, Heinz (2001). New Optically Active 2H-Azirin-3-amines as Synthons for Enantiomerically Pure 2,2-Disubstituted Glycines. Helvetica Chimica Acta, 84(6):1756-1777.

Gassmann, Sandra; Guintchin, Boris; Bienz, Stefan (2001). New silicon groups as potential chiral auxiliaries. Synthesis and highly selective chiral 1,6-induction in 1,2-additions to acylsilanes. Organometallics, 20(9):1849-1859.

Fu, Changchun; Linden, Anthony; Heimgartner, Heinz (2001). Regioselectivity of the 1,3-Oxathiolane Formation in the Lewis Acid-Catalyzed Reaction of Thioketones with Asymmetrically Substituted Oxiranes. Helvetica Chimica Acta, 84(11):3319-3334.

Breitenmoser, Roland A; Heimgartner, Heinz (2001). Scope and Limitation of the Acid-Catalyzed Isomerization of Aib-Containing Thiopeptides. Helvetica Chimica Acta, 84(4):786-796.

Rovira, C; Kunc, K; Hutter, J; Parrinello, M (2001). Structural and electronic properties of co-corrole, co-corrin, and co-porphyrin. Inorganic Chemistry, 40(1):11-17.

Awad, Enas M; Elwan, Nehal M; Hassaneen, Hamdi M; Linden, Anthony; Heimgartner, Heinz (2001). Synthesis and Reactivity of 2-(6,7-Diethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile towards Hydrazonoyl Halides. Helvetica Chimica Acta, 84(5):1172-1180.

Riera, X; Caubet, A; Lopez, C; Moreno, V; Freisinger, Eva; Willermann, Michael; Lippert, Bernhard (2001). Versatility in the mode of coordination [(C)−, (N,S), (C,N)− or (C,N,S)−] of the Schiff base: C6H5–CH=N–CH2–CH2–SEt to palladium(II). X-ray crystal structures of cis-[Pd{C6H5–CH=N–CH2–CH2–SEt}Cl2] and [Pd{C6H4–CH=N–CH2–CH2–SEt}Cl]. Journal of Organometallic Chemistry, 629:97-108.

2000

Franz, K J; Singh, N; Spingler, B; Lippard, S J (2000). Aminotroponiminates as ligands for potential metal-based nitric oxide sensors. Inorganic Chemistry, 39(18):4081-4092.

He, C; Gomez, V; Spingler, B; Lippard, S J (2000). Monodentate-bridged phosphodiester and sulfate complexes: Structural insights into the biological activation of phosphodiesters, sulfate, and sulfate esters. Inorganic Chemistry, 39(19):4188-4189.

Suter, Giovanni; Stoykova, Svetlana A; Linden, Anthony; Heimgartner, Heinz (2000). Heterospirocyclic N-(2H-Azirin-3-yl)-L-prolinates: New Dipeptide Synthons. Helvetica Chimica Acta, 83:2961-2974.

Zhou, Yuehui; Heimgartner, Heinz (2000). Selenium-containing heterocycles from isoselenocyanates: synthesis of 1,2,3-selenadiazole derivatives. Helvetica Chimica Acta, 83:539-553.

Zhou, Yuehui; Linden, Anthony; Heimgartner, Heinz (2000). Selenium-containing heterocycles from isoselenocyanates: synthesis of 1,3-selenazoles from N-phenylimidoyl isoselenocyanates. Helvetica Chimica Acta, 83:1576-1598.

Blagoev, Milen; Linden, Anthony; Heimgartner, Heinz (2000). Stereochemical course of the reaction between thiocarbonyl compounds and oxiranes: reaction with cis- and trans-2,3-dimethyloxirane. Helvetica Chimica Acta, 83:3163-3178.

Koch, Kristian N; Linden, Anthony; Heimgartner, Heinz (2000). Synthesis of 16-membered cyclic depsipeptides via direct amide cyclization. Helvetica Chimica Acta, 83:233-257.

Koch, Kristian N; Heimgartner, Heinz (2000). Synthesis of conformationally restricted cyclic hexadepsipeptides via direct amide cyclization. Helvetica Chimica Acta, 83:1881-1900.

Mlostoń, Grzegorz; Celeda, Malgorzata; Prakash, G K Surya; Olah, George A; Heimgartner, Heinz (2000). Synthesis of imidazole derivatives using 2-unsubstituted 1H-imidazole 3-oxides. Helvetica Chimica Acta, 83:728-738.

1999

Cavalleri, O; Bittner, A M; Kind, H; Kern, K; Greber, T (1999). Copper electrodeposition on alkanethiolate covered gold electrodes*. Zeitschrift für Physikalische Chemie, 208(1-2):107-136.

Lehmann, Jürg; Linden, Anthony; Heimgartner, Heinz (1999). A novel acid-catalyzed isomerization of Aib-containing thiodipeptides. Helvetica Chimica Acta, 82:888-908.

Fässler, Jürg; Enev, Valentin; Bienz, Stefan (1999). A novel stereoselective reaction cascade leading from $\alpha$-silylated allylic alcohols to aldol-type products. Helvetica Chimica Acta, 82(4):561-587.

Muller, J F K; Zehnder, M; Barbosa, F; Spingler, B (1999). Chiral lithiated phosphoric triamides: Structure, reactivity, and salt effects. Helvetica Chimica Acta, 82(9):1486-1501.

Blagoev, Milen; Linden, Anthony; Heimgartner, Heinz (1999). Lewis acid catalyzed reactions of thioketones with 1,2-epoxycyclohexane and 1,2-epoxycyclopentane. Helvetica Chimica Acta, 82:2316-2335.

Blagoev, Milen; Linden, Anthony; Heimgartner, Heinz (1999). Reaction of 1,3-thiazole-5(4H)-thiones with 1,2-epoxycycloalkanes: formation of spirocyclic 1,3-oxathiolanes. Helvetica Chimica Acta, 82:1458-1469.

Mlostoń, Grzegorz; Romański, Jaroslaw; Swia̧tek, Anna; Heimgartner, Heinz (1999). Reactions of thioketones with dichlorocarbene. Helvetica Chimica Acta, 82:946-956.

Todorova, Tonya R; Linden, Anthony; Heimgartner, Heinz (1999). Ring-enlargement and ring-opening reactions of 1,2-thiazetidin-3-one 1,1-dioxides with ammonia and primary amines as nucleophiles. Helvetica Chimica Acta, 82:354-371.

Lehmann, Jürg; Heimgartner, Heinz (1999). Synthesis of endothiopeptides and their cyclization to 1,3-thiazol-5(4H)-imines. Helvetica Chimica Acta, 82:1899-1915.

Mlostoń, Grzegorz; Gendek, Tomasz; Linden, Anthony; Heimgartner, Heinz (1999). Trapping of a thiocarbonyl ylide with imidazolethiones, pyrimidinethione, and thioamides. Helvetica Chimica Acta, 82:290-296.

Mlostoń, Grzegorz; Romański, Jaroslaw; Linden, Anthony; Heimgartner, Heinz (1999). Unexpected products from the reaction of 2,2,4,4-tetramethylcyclobutane-1,3-dione with the Makosza reagent. Helvetica Chimica Acta, 82:1302-1310.

1998

Spingler, B; Muller, J F K; Neuburger, M; Zehnder, M (1998). Synthesis and structure of a chiral bicyclic stannylated phosphoric triamide. Journal of Organometallic Chemistry, 570(2):293-296.

Kägi, Martin; Linden, Anthony; Mlostoń, Grzegorz; Heimgartner, Heinz (1998). 1,3-Oxathiole and Thiirane Derivatives from the Reactions of Azibenzil and alpha-Diazo Amides with Thiocarbonyl Compounds. Helvetica Chimica Acta, 81(2):285-302.

Moya Argilagos, Dally; Kunz, Roland W; Linden, Anthony; Heimgartner, Heinz (1998). Desulfurization of 4-Nitro-N,2-diphenyl-3-(phenylamino)isothiazol-5(2H)-imine: Formation of a 3-Imino-2-nitroprop-2-enamidine. Helvetica Chimica Acta, 81(12):2388-2406.

Mlostoń, Grzegorz; Gendek, Tomasz; Heimgartner, Heinz (1998). First examples of reactions of azole n-oxides with thioketones: a novel type of sulfur-transfer reaction. Helvetica Chimica Acta, 81(9):1585-1595.

Garcia Trimino, Maria I; Macias Cabrera, Arturo; Velez Castro, Herman; Rosado Perez, Aristide; Moya Argilagos, Dally; Linden, Anthony; Heimgartner, Heinz (1998). Reaction of N,N'-Dimethyl-2-nitroethene-1,1-diamine with alpha,beta-Unsaturated Acyl Isothiocyanates: Preparation of 1,3-Thiazin-4-one and 4-Nitro-1,2-thiazol-5(2H)-imine Derivatives. Helvetica Chimica Acta, 81(3-4):718-728.

Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (1998). [2+3] Cycloadditions of Azomethine Ylides with 1,3-Thiazole-5(4H)-thiones. Helvetica Chimica Acta, 81(3-4):558-569.

1997

Jentgens, Christian; Bienz, Stefan; Hesse, Manfred (1997). Selective monoderivatization of propane-1,3-diamine with acid chlorides: ‘Hexahydropyrimidine method’ vs. statistic methods. Helvetica Chimica Acta, 80(4):1133-1143.

Zhao, Guo-meng; Conder, K; Keller, H; Müller, K A (1997). Giant oxygen-isotope shift of the ferromagnetic transition temperature in the colossal magnetoresistive La1−xCaxMnO3+y: evidence for Jahn-Teller Polarons*. Zeitschrift für Physikalische Chemie, 201(Heft 1-2):263-269.

Alberto, R; Schibli, R; Abram, U; Egli, A; Knapp, F F (Russ); Schubiger, P A (1997). Potential of the "[M(CO)3]+" (M = Re, Tc) moiety for the labeling of biomolecules. Radiochimica Acta: international journal for chemical aspects of nuclear science and technology, 79(2):99-103.

Mlostoń, Grzegorz; Romański, Jaroslaw; Linden, Anthony; Heimgartner, Heinz (1997). "Three-Component reaction" with aromatic thioketones, phenyl azide, and dimethyl fumarate. Helvetica Chimica Acta, 80:1992-2001.

Meier, Karl-Richard; Linden, Anthony; Mlostoń, Grzegorz; Heimgartner, Heinz (1997). 1,3-dipolare Cycloadditionen eines Carbonyl-ylids mit 1,3-Thiazol-5(4H)-thionen und Thioketonen. Helvetica Chimica Acta, 80:1190-1204.

Bratovanov, Svestoslav; Bienz, Stefan (1997). A chiral (alkoxy)methyl-substituted silicon group as an auxiliary for the stereoselective cuprate addition to $\alpha,\beta$-unsaturated ketones: synthesis of (−)-(R)-phenyl 2-phenylpropyl ketone. Tetrahedron: Asymmetry, 8(10):1587-1603.

Moya Argilagos, Dally; Garcia Trimino, Maria I; Macias Cabrera, Arturo; Linden, Anthony; Heimgartner, Heinz (1997). An unexpected isomerization of N-Aryl-3-amino-4-nitroisothiazol-5(2H)-imines to 2-(Benzothiazol-2-y1)-2-nitroethene-1,1-diamines. Helvetica Chimica Acta, 80:273-292.

Strässler, Christof; Heimgartner, Heinz (1997). An unexpected transformation of benzyl carbamates into alpha-azidobenzeneacetamides. Helvetica Chimica Acta, 80:2058-2065.

Strässler, Christof; Linden, Anthony; Heimgartner, Heinz (1997). Novel heterospirocyclic 3-amino-2H-azirines as synthons for heterocyclic alpha-amino acids. Helvetica Chimica Acta, 80:1528-1554.

Mlostoń, Grzegorz; Romański, Jaroslaw; Linden, Anthony; Heimgartner, Heinz (1997). Ringöffnungen von sterisch gehinderten spirocyclischen 2,5-Dihydro- 1,3,4-thiadiazolen mit cycloaliphatischen, sekundären Aminen. Helvetica Chimica Acta, 80:230-240.

Jentgens, Christian; Hofmann, Richard; Guggisberg, Armin; Bienz, Stefan; Hesse, Manfred (1997). Selective synthesis of polyamine derivatives: Efficient derivatization of the secondary amino group ofN-monosubstituted 1,3-diamines. Helvetica Chimica Acta, 80(3):966-978.

Villalgordo, Jose M; Heimgartner, Heinz (1997). Synthesis of cyclic depsipeptides and peptides via direct amide cyclization. Helvetica Chimica Acta, 80:748-766.

1996

Meyers, Albert I; Bienz, Stefan; Kwon, Hyok-Boong; Wallace, Richard H (1996). The asymmetric synthesis of fused cyclopentenone ring systems: a formal asymmetric total synthesis of (−)-isocomene. Helvetica Chimica Acta, 79(4):1026-1046.

Alberto, R; Nef, W; Smith, A; Kaden, T A; Neuburger, M; Zehnder, M; Frey, A; Abram, U; Schubiger, P A (1996). Silver(I) Complexes of the Derivatized Crown Thioether Ligands 3,6,9,12,15,18-Hexathianonadecanol and 3,6,9,13,16,19-Hexathiaicosanol. Determination of Stability Constants and the Crystal Structures of [Ag(19-aneS6-OH)][CF(3)SO(3)] and [Ag(20-aneS6-OH)][BF(4)]. Inorganic Chemistry, 35(11):3420-2427.

Enev, Valentin; Stojanova, Diana; Bienz, Stefan (1996). Chiral Acylsilanes in Organic Synthesis. Part 3. Silicon-directed stereoselective preparation and Ireland ester-enolate rearrangement of O-acyl-substituted α-silylated allyl alcohols. Helvetica Chimica Acta, 79(2):391-404.

Kägi, Martin; Linden, Anthony; Mlostoń, Grzegorz; Heimgartner, Heinz (1996). 1,5-Dipolare Elektrocyclisierung von Acyl-substituierten ‘Thiocarbonyl-yliden’ zu 1,3-Oxathiolen. Helvetica Chimica Acta, 79(3):855-874.

Villalgordo, Jose M; Linden, Anthony; Heimgartner, Heinz (1996). A novel amination reaction with Diphenyl Phosphorazidate: Synthesis of alpha-Amino-Acid Derivatives. Helvetica Chimica Acta, 79(1):213-219.

Orahovats, Alexander S; Bratovanov, Svetoslav B; Linden, Anthony; Heimgartner, Heinz (1996). A ring enlargement from seven- to ten-membered-ring sulfonamide derivatives. Helvetica Chimica Acta, 79(4):1121-1128.

Mlostoń, Grzegorz; Heimgartner, Heinz (1996). Carbenoid reactions of Dimethyl Diazomalonate with aromatic Thioketones and 1,3-Thiazole-5(4H)-thiones. Helvetica Chimica Acta, 79(7):1785-1792.

Huber, Priska; Bratovanov, Svetoslav; Bienz, Stefan; Syldatk, Christoph; Pietzsch, Markus (1996). Chiral silicon groups as auxiliaries for enantioselective synthesis: access to optically active silanes by biotransformation and the enantiospecific preparation of (R)-(+)-1-phenylethanol. Tetrahedron: Asymmetry, 7(1):69-78.

Luykx, Roeland; Bucher, Christoph B; Linden, Anthony; Heimgartner, Heinz (1996). Ein neues 3-Amino-2H-azirin als Aib-Pro-Baustein: Synthese des C-terminalen Nonapeptids von Trichovirin I 1B. Helvetica Chimica Acta, 79(2):527-540.

Shi, Junxing; Heimgartner, Heinz (1996). New addition reactions of organometal compounds with 4,4-Dimethyl-1,3-thiazole-5(4H)-thione. Helvetica Chimica Acta, 79(2):371-384.

Bucher, Christoph B; Heimgartner, Heinz (1996). Optisch aktive 3-Amino-2H-azirine als Bausteine für enantiomerenreine alpha,alpha-disubstituierte alpha-Aminosäuren: Synthese von Isovalin-Synthonen und Einbau in ein Trichotoxin-A-50-Segment. Helvetica Chimica Acta, 79(7):1903-1915.

Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (1996). Regioselektive 1,3-Dipolare Cycloadditionen eines ‘Thiocarbonyl-methanids’ ((Alkylidensulfonio)methanids) mit aromatischen Sulfinen. Helvetica Chimica Acta, 79(1):31-40.

Muller, J F K; Batra, R; Spingler, B; Zehnder, M (1996). Synthesis and X-ray structure of bis{S-(1-lithio-3,3-diphenylprop-2-enyl)-N-methyl-S-phenylsulfoximine-t etrahydrofuran(1/2)} complemented by model ab initio calculations of alpha-lithiosulfoximines. Helvetica Chimica Acta, 79(3):820-826.

Mihova, Tonya R; Linden, Anthony; Heimgartner, Heinz (1996). Synthesis of 1,2,5-Thiadiazepine Derivatives by Ring Enlargement of 1,2-Thiazetidin-3-one 1,1-Dioxides with 3-Amino-2H-azirines. Helvetica Chimica Acta, 79(8):2067-2074.

Mlostoń, Grzegorz; Romański, Jaroslaw; Linden, Anthony; Heimgartner, Heinz (1996). Three-component reactions with Sterically Crowded 2,2,4,4-Tetramethyl-3-thioxocyclobutanone, Phenyl Azide, and Electron-Deficient C,C-Dipolarophiles. Helvetica Chimica Acta, 79(5):1305-1314.

1995

Hugener, Martin; Heimgartner, Heinz (1995). 4-Amino-1,5-dihydro-2H-pyrrol-2-one aus Bortrifluorid-katalysierten Umsetzungen von 3-Amino-2H-azirinen mit Carbonsäure-Derivaten. Helvetica Chimica Acta, 78:1490-1498.

Villalgordo, Jose M; Enderli, Adelheid; Linden, Anthony; Heimgartner, Heinz (1995). Diazo-transfer reaction with diphenyl phosphorazidate. Helvetica Chimica Acta, 78:1983-1998.

Hugener, Martin; Heimgartner, Heinz (1995). Eine überraschende Ringerweiterung von 3-(Dimethylamino)-2,2-dimethyl-2H-azirin zu 4,5-Dihydropyridin-2(3H)-on-Derivaten. Helvetica Chimica Acta, 78:1863-1878.

Mlostoń, Grzegorz; Romański, Jaroslaw; Linden, Anthony; Heimgartner, Heinz (1995). Erstes Beispiel einer H-Verschiebung in ‘Thiocarbonyl-aminiden’(N-(Alkylidensulfonio)aminiden). Helvetica Chimica Acta, 78:1067-1078.

Bucher, Christoph B; Linden, Anthony; Heimgartner, Heinz (1995). Optisch aktive 3-Amino-2H-azirine als Bausteine für enantiomerenreine alpha,alpha-disubstituierte alpha-Aminosäuren: Synthese des alpha-Methylphenylalanin-Synthons and Einbau in Modell-Peptide. Helvetica Chimica Acta, 78:935-946.

1994

Magirius, Florian; Linden, Anthony; Heimgartner, Heinz (1994). 4,4-Disubstituierte Imidazol-Derivate aus der Umsetzung von 3-Amino-2H-azirinen mit Salicylamid. Helvetica Chimica Acta, 77(2):453-462.

Faessler, Juerg; Bienz, Stefan (1994). A novel type of dyotropic rearrangement: palladium-catalyzed rearrangement of alkoxymethyl-substituted silanes to alkyl silyl ethers. Organometallics, 13(12):4704-4707.

Petit, Mireille; Linden, Anthony; Mlostoń, Grzegorz; Heimgartner, Heinz (1994). Reaktion von Phenyldiazomethan mit 1,3-Thiazol-5(4H)-thionen: Basenkatalysierte Ring-Öffnung des Primäradduktes. Helvetica Chimica Acta, 77(4):1076-1086.

Shi, Junxing; Tromm, Peter; Heimgartner, Heinz (1994). Synthesis and addition reactions of 1,3-Thiazole-5(4H)-thione Oxides. Helvetica Chimica Acta, 77:2133-2141.

Shi, Yunxing; Linden, Anthony; Heimgartner, Heinz (1994). Synthesis and reactions of 2-(Alkylthio)-4,4-dimethyI-1,3-thiazole-5(4H)-thiones. Helvetica Chimica Acta, 77(7):1903-1920.

Mlostoń, Grzegorz; Petit, Mireille; Linden, Anthony; Heimgartner, Heinz (1994). Umsetzung von Di(tert-buty1)- und Diphenyldiazomethan mit 1,3-Thiazol-5(4H)-thionen: Isolierung und Kristallstruktur des primären Cycloadduktes. Helvetica Chimica Acta, 77(2):435-444.

Kägi, Martin; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (1994). Umsetzung von Diazoessigsäure-ethylester mit 1,3-Thiazol-5(4H)-thionen. Helvetica Chimica Acta, 77(5):1299-1312.

1993

Chapeaurouge, Alexander; Bienz, Stefan (1993). Chiral acylsilanes in organic synthesis. Part 2. The role of the solvent, the organometallic reagent, and the nature of the substrate for the diastereoselectivity of 1,2-additions to racemic alkoxymethyl-substituted acylsilanes. Helvetica Chimica Acta, 76(5):1876-1889.

Matile, Stefan; Janowitz, Agnes; Ghirlanda, Sandro; Lorenzi-Riatsch, Annalaura; Horni, Albert; Moricz, Attila; Bienz, Stefan; Bild, Norbert; Woggon, Wolf-Dietrich; Hesse, Manfred (1993). Nachbargruppeneffekte in der Gas-Phase: Intramolekulare Deacetalisierung von Hydroxyacetalen unter den Bedingungen der chemischen Ionisation. Helvetica Chimica Acta, 76(3):1305-1310.

Garcia Trimino, Maria I; Linden, Anthony; Heimgartner, Heinz; Macias Cabrera, Arturo (1993). 3-(Acylamino)-3-amino-2-nitroacrylonitriles from N-Acyl-S-methyl-3,3-diamino-2-nitroacrylthioimidates. Helvetica Chimica Acta, 76:2817-2829.

Villalgordo, Jose M; Heimgartner, Heinz (1993). A Novel Synthesis of 2,2-Disubstituted 3-Amino-2H-azirines Based on the Reaction between Amide Enolates and Diphenyl Phosphorochloridate. Helvetica Chimica Acta, 76:2830-2837.

Heimgartner, Heinz; Hansen, Hans-Jürgen (1993). Organische Photochemie im Spiegel von Helvetica Chimica Acta. Helvetica Chimica Acta, 76:1027-1114.

Schläpfer-Dähler, Marlise; Heimgartner, Heinz (1993). Ring-Transformationen bei der Umsetzung von 3-(Dimethylamino)-2,2-dimethyl-2H-azirin mit 1-substituierten Imidazolidin-2,4,5-trionen. Helvetica Chimica Acta, 76:2321-2328.

Kägi, Martin; Linden, Anthony; Heimgartner, Heinz; Mlostoń, Grzegorz (1993). Umsetzung von 1,3-Thiazol-5(4H)-thionen mit Diazomethan. Helvetica Chimica Acta, 76:1715-1728.

Magirius, Florian; Linden, Anthony; Heimgartner, Heinz (1993). Umsetzung von 3-Amino-2H-azirinen mit Salicylohydrazid. Helvetica Chimica Acta, 76:1980-2003.

1992

Obrecht, Daniel; Spiegler, Clive; Schönholzer, Peter; Müller, Klaus; Heimgartner, Heinz; Stierli, Friedrich (1992). A New General Approach to Enantiomerically Pure Cyclic and Open-Chain (R) - and (S)-alpha,alpha-Disubstituted alpha-Amino Acids. Helvetica Chimica Acta, 75:1666-1696.

Orahovats, Alexander S; Linden, Anthony; Heimgartner, Heinz (1992). A Ring-Enlargement Reaction Yielding 1,2,5-Benzothiadiazonin-6-one 1,1-Dioxides. Helvetica Chimica Acta, 75:2515-2519.

Trifonov, Latchezar S; Orahovats, Alexander S; Linden, Anthony; Heimgartner, Heinz (1992). Carbonyliron Complexation and Carbonyl Insertion of Allenic Ketones. Helvetica Chimica Acta, 75:1872-1879.

Villalgordo, Jose M; Heimgartner, Heinz (1992). Reaction of Diphenyl Phosphorochloridate with Amide Enolates: A New and Convenient Synthesis of 2-Monosubstituted 3-(N-Methyl-N-phenylamino)-2H-azirines. Helvetica Chimica Acta, 75:1866-1871.

Villalgordo, Jose M; Linden, Anthony; Heimgartner, Heinz (1992). Reactions of 2-Monosubstituted 3-Amino-2H-azirines with NH-Acidic Heterocycles. Helvetica Chimica Acta, 75:2270-2282.

Mlostoń, Grzegorz; Heimgartner, Heinz (1992). Reaktion von 2-Diazopropan mit 1,3-Thiazol-5(4H)-thionen. Helvetica Chimica Acta, 75:1825-1833.

Schläpfer-Dähler, Marlise; Mukherjee-Müller, Gabriele; Heimgartner, Heinz (1992). Ring-Transformation von Imidazolidin-2,4-dionen (= Hydantoinen) zu 4H-Imidazolen bei der Umsetzung mit 3-(Dimethylamino)-2,2-dimethyl-2H-azirin. Helvetica Chimica Acta, 75:1251-1261.

Heimgartner, Heinz; Hansen, Hans-Jürgen (1992). Struktur und Mechanismus in der organischen Chemie im Spiegel von Helvetica Chimica Acta. Helvetica Chimica Acta, 75(2):359-437.

1991

Oremus, Vladimir; Linden, Anthony; Heimgartner, Heinz (1991). 1,3-Oxathiolan-Synthese: Spirocyclische 1,3-Oxathiolane aus der Lewis-Säure-katalysierten Umsetzung von cyclischen Trithiocarbonaten und Oxiranen. Helvetica Chimica Acta, 74(7):1500-1510.

Bienz, Stefan; Chapeaurouge, Alexander (1991). Chiral Acylsilanes in Organic Synthesis. Diastereoselective 1,2-Additions to Racemic Alkoxymethyl-Substituted Acylsilanes. Helvetica Chimica Acta, 74(7):1477-1488.

Mihova, Tonya R; Trifonov, Latchezar S; Dimitrov, Valentin S; Orahovats, Alexander S; Linden, Anthony; Heimgartner, Heinz (1991). New Polycyclic Compounds from Photochemical Rearrangements of Some Substituted 2-Azatricyclo[5.2.2.0]undeca-4,8,10-trien-3-ones. Helvetica Chimica Acta, 74(5):1011-1026.

Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (1991). Regioselektive 1,3-dipolare Cycloadditionen von Thiocarbonyl-yliden mit 1,3-Thiazol-5(4H)-thionen. Helvetica Chimica Acta, 74(7):1386-1398.

Rahm, Annette; Linden, Anthony; Vincent, Beverly R; Heimgartner, Heinz; Mühlstädt, Manfred; Schulze, Bärbel (1991). Ringerweiterung von 1,2-Thiazol-3(2H)-on-1,1-dioxiden und 3-Amino-2H-azirinen zu 4H-1,2,5-Thiadiazocin-6-on-1,1-dioxiden. Helvetica Chimica Acta, 74(5):1002-1010.

Schulze, Bärbel; Kirsten, Gisela; Kirrbach, Sabine; Rahm, Annette; Heimgartner, Heinz (1991). Zur Oxidation von 1,2-Thiazolen: Ein einfacher Zugang zu 1,2-Thiazol-3(2H)-on-1,1-dioxiden. Helvetica Chimica Acta, 74(5):1059-1070.

1990

Trifonov, Latchezar S; Orahovats, Alexander S; Heimgartner, Heinz (1990). Carbonyliron Complexes of Allenic Acids, Esters, Amides, and Imides. Helvetica Chimica Acta, 73(6):1734-1741.

Ametamey, Simon M; Vincent, Beverly R; Heimgartner, Heinz (1990). Dipolare (1:1)-Addukte aus der Reaktion von 3-Amino-2H-azirinen mit 1,3,4-Oxadiazol- und 1,3,4-Thiadiazol-2(3H)-onen. Helvetica Chimica Acta, 73(2):492-507.

Tromm, Peter-Claus; Heimgartner, Heinz (1990). Eine neue 1,3-Oxathiolan-Synthese: Spirocyclische 1,3-0xathiolane aus der Lewis-Säure katalysierten Umsetzung von 1,3-Thiazol-5(4H)-thionen mit Oxiranen. Helvetica Chimica Acta, 73(8):2287-2294.

Villalgordo, Jose M; Vincent, Beverly R; Heimgartner, Heinz (1990). Reaction of 3-Amino-2H-azirines with 2-Amino-4,6-dinitrophenol (Picramic Acid): Synthesis of Quinazoline- and 1,3-Benzoxazole Derivatives. Helvetica Chimica Acta, 73(4):959-974.

Ametamey, Simon M; Heimgartner, Heinz (1990). Reaktionen von 3-(Dimethylamino)-2H-azirinen mit 1,3-Benzoxazol-2(3H)-thion. Helvetica Chimica Acta, 73(3):599-607.

Ametamey, Simon M; Heimgartner, Heinz (1990). Ringerweiterungen und Ringverengungen bei der Umsetzung von 1,3- Oxazolidin-2,4-dionen und 1,3-Thiazolidin-2,4-dion mit 3-Amino-2H-azirinen. Helvetica Chimica Acta, 73(5):1314-1328.

Obrecht, Daniel; Heimgartner, Heinz (1990). Synthese cyclischer Depsipeptide durch direkte Amid-Cyclisierung: 12gliedrige Depsipeptide mit alternierender Sequenz von α-Hydroxy- und α-Aminosäuren. Helvetica Chimica Acta, 73(1):221-228.

Wipf, Peter; Heimgartner, Heinz (1990). Synthesis of Peptides Containing alpha,alpha-Disubstituted alpha-Amino Acids by the Azirine/Oxazolone Method: The (12-20)-Nonapeptide of the Ionophore Alamethicin. Helvetica Chimica Acta, 73(1):13-24.

Ametamey, Simon M; Heimgartner, Heinz (1990). Umsetzung von 3-(Dimethylamino)-2H-azirinen mit 1,3-Oxazolidin-2-thion zu 3-(2-Hydroxyethyl)-2-thiohydantoinen. Helvetica Chimica Acta, 73(3):594-598.

Schläpfer-Dähler, Marlise; Heimgartner, Heinz (1990). Umsetzungen von 3-(Dimethylamino)-2,2-dimethyl-2H-azirim mit Barbitursäure-Derivaten. Helvetica Chimica Acta, 73(8):2275-2286.

1989

Paál, Zoltán; Zimmer, Helga; Günter, John R (1989). Effect of Hydrogen on the Sintering of Pt-Black Catalyst and on its Activity in Skeletal Hydrocarbon Reactions. Zeitschrift für Physikalische Chemie, 164(Part_2):1135-1144.

Jenny, Christjohannes; Heimgartner, Heinz (1989). Bildung von 5,6-Dihydro-1,3(4H)-thiazin-4-carbonsäure-estern aus 4-Allyl-1,3-thiazol-5(4H)-onen. Helvetica Chimica Acta, 72:1639-1646.

Hugener, Martin; Heimgartner, Heinz (1989). Eine neue Aminoazirin-Reaktion. Bildung von 3,6-Dihydropyrazin-2(1H)-onen. Helvetica Chimica Acta, 72:172-179.

Jenny, Christjohannes; Wipf, Peter; Heimgartner, Heinz (1989). Radikalische Cyclisierungen von Alkenyl-substituierten 4,5-Dihydro-1,3-thiazol-5-thiolen. Helvetica Chimica Acta, 72:838-846.

Bozhkova, Nina; Heimgartner, Heinz (1989). Synthesis of 4-Alkoxy-1,3-oxazol-5(2H)-ones, Precursors of 1-Alkoxy-Substituted Nitrile Ylides. Helvetica Chimica Acta, 72:825-837.

1988

Wipf, Peter; Prewo, Roland; Bieri, Jost H; Germain, Gabriel; Heimgartner, Heinz (1988). (Benzylthio)- und (Arylthio)-substituierte Nitril-ylide: thermische Erzeugung und Reaktionen. Helvetica Chimica Acta, 71(5):1177-1190.

Ametamey, Simon M; Hollenstein, Roger; Heimgartner, Heinz (1988). 15N-Markiertes 3-(Dimethylamino)-2,2-dimethyl-2H-azirin zur mechanistischen Untersuchung von Reaktionen rnit NH-aciden Heterocyclen. Helvetica Chimica Acta, 71(3):521-530.

Wipf, Peter; Heimgartner, Heinz (1988). Anwendung der Azirin/Oxazolon-Methode in der Peptid-Chemie: Synthese von Modell-Tripeptiden. Helvetica Chimica Acta, 71(1):140-154.

Tromm, Peter; Heimgartner, Heinz (1988). Hetero-Diels-Alder-Reaktion mit 1,3-Thiazol-5(4H)-thionen. Helvetica Chimica Acta, 71(8):2071-2084.

Wipf, Peter; Heimgartner, Heinz (1988). Konformationsanalysen von Modell-Tripeptiden: Der Einfluss von alpha,alpha-disubstituierten alpha-Aminosäuren auf die Sekundärstruktur. Teil I: NMR- und CD-Untersuchungen. Helvetica Chimica Acta, 71(1):258-267.

Wipf, Peter; Kunz, Roland W; Prewo, Roland; Heimgartner, Heinz (1988). Konformationsanalysen von Modell-Tripeptiden: Der Einfluss von alpha,alpha-disubstituierten alpha-Aminosäuren auf die Sekundärstruktur. Teil II. Röntgenstrukturanalyse und Konformationsenergie-Berechnungen. Helvetica Chimica Acta, 71(1):268-273.

Pekcan, Sare; Heimgartner, Heinz (1988). N-(1,3-Thiazol-5(4H)-yliden)amine aus 1,3-dipolaren Cycloadditionen von Aziden mit 1,3-Thiazo1-5(4H)-thionen. Helvetica Chimica Acta, 71(7):1673-1680.

Trifonov, Latchezar S; Orahovats, Alexander S; Prewo, Roland; Heimgartner, Heinz (1988). Synthesis and Structure of Carbonyliron Complexes of Allenecarboxylates and Allenic Lactones. Helvetica Chimica Acta, 71(3):551-561.

Obrecht, Jean-Pierre; Schönholzer, Peter; Jenny, Christian Johannes; Prewo, Roland; Heimgartner, Heinz (1988). The Reaction of 3-(Dimethylamino)-2H-azirines with 2,3-Pyridinedicarboximide. Helvetica Chimica Acta, 71(5):1319-1327.

1987

Heming, M (1987). Modern EPR-related methods in surface science and heterogeneous catalysis*. Zeitschrift für Physikalische Chemie, 151(Part_1_2):35-50.

Obrecht, Daniel; Heimgartner, Heinz (1987). 3-(Dimethylamino)-2,2-dimethyl-2H-azirin als Aib-Äquivalent: Synthese von Aib-Oligopeptiden. Helvetica Chimica Acta, 70:102-115.

Obrecht, Daniel; Heimgartner, Heinz (1987). 3-(Dimethylamino)-2,2-dimethyl-2H-azirin als alpha-Aminoisobuttersäure (Aib)-Aquivalent: Cyclische Depsipeptide durch direkte Amid-Cyclisierung. Helvetica Chimica Acta, 70:329-338.

Wipf, Peter; Heimgartner, Heinz (1987). Bildung tricyclischer Thietan-Derivate durch intramolekulare (2+2)-Cycloaddition. Helvetica Chimica Acta, 70:992-994.

Trifonov, Latchezar S; Orahovats, Alexander S; Heimgartner, Heinz (1987). Octacarbonyldicobalt-Induced (1,3) H Shifts in 1-Methylallenecarboxylates and Allenic Lactones. Helvetica Chimica Acta, 70:1070-1075.

Wipf, Peter; Heimgartner, Heinz (1987). Selektive Amidspaltung bei Peptiden mit alpha,alpha-disubstituierten alpha-Aminosäuren. Helvetica Chimica Acta, 70:354-368.

Bienz, Stefan; Hesse, Mauhad (1987). Synthese makrocyclischer, $\alpha, \beta$-ungesättigter y-Oxolactone durch Ringerweiterungsreaktionen; ein neuer Weg zum makrocyclischen Lacton-Antibiotikum A 26771 B. Helvetica Chimica Acta, 70(5):1333-1340.

Wipf, Peter; Prewo, Roland; Bieri, Jost H; Heimgartner, Heinz; Nastopoulos, Vassilios; Germain, Gabriel (1987). Synthese von 4-Benzylthio- und 4-(Arylthio)-1,3-oxazol-5(2H)-onen. Helvetica Chimica Acta, 70:1380-1388.

1986

Jenny, Christjohannes; Heimgartner, Heinz (1986). 1,4-Dithiafulvene aus der Umsetzung von 4,4-disubstituierten 1,3-Thiazol-5(4H)-thionen mit Acetylenderivaten. Helvetica Chimica Acta, 69(2):419-429.

Hostettler, Bernhard; Obrecht, Jean-Pierre; Prewo, Roland; Bieri, Jost H; Heimgartner, Heinz (1986). 5,6,7,8-Tetrahydro-4H-1,2,5-oxadiazocin-6-one durch Ringerweiterung nach Addition eines 3-lsoxazolidinons mit 3-Amino-2H-azirinen. Helvetica Chimica Acta, 69(2):298-304.

Jenny, Christjohannes; Heimgartner, Heinz (1986). Additionsreaktion von 1,3-Thiazol-5(4H)-thionen und Inaminen; Bildung von Thioamiden und Thioketonen. Helvetica Chimica Acta, 69(1):174-183.

Jenny, Christjohannes; Wipf, Peter; Heimgartner, Heinz (1986). Carbophile Additionen von Organocupraten mit 1,3-Thiazo1-5(4H)-thionen. Helvetica Chimica Acta, 69(8):1837-1843.

Wipf, Peter; Heimgartner, Heinz (1986). Kupplung von Peptiden mit C-terminalen alpha,alpha-disubstituierten alpha-Aminosäuren via Oxazol-5(4H)-one. Helvetica Chimica Acta, 69(5):1153-1162.

Ametamey, Simon M; Prewo, Roland; Bieri, Jost H; Heimgartner, Heinz; Obrecht, Jean-Pierre (1986). Reaktion von 3-(Dimethylamino)-2H-azirinen mit 1,3-Thiazolidin-2-thion. Helvetica Chimica Acta, 69(8):2013-2025.

Jenny, Christjohannes; Prewo, Roland; Bieri, Jost H; Heimgartner, Heinz (1986). Synthese von (Methylthio)penam-Derivaten durch Keten-Addition an 4,5-Dihydro-5-(methylthio)-1,3-thiazole. Helvetica Chimica Acta, 69(6):1424-1434.

Jenny, Christjohannes; Heimgartner, Heinz (1986). Synthese von 4,4-disubstituierten 1,3-ThiazoI-5(4H)-thionen. Helvetica Chimica Acta, 69(2):374-388.

Jenny, Christjohannes; Heimgartner, Heinz (1986). Umsetzungen von 1,3-Thiazol-5(4H)-thionen mit Grignard- und Organolithium-Verbindungen: Carbophile und Thiophile Additionen. Helvetica Chimica Acta, 69(4):773-785.

Meier, Hansruedi; Heimgartner, Heinz (1986). lntramolekulare 1,3-dipolare Cycloadditionen mit alkenyl-substituierten 3,4-Diarylsydnonen. Helvetica Chimica Acta, 69(4):927-940.

1985

Meier, Hansruedi; Heimgartner, Heinz (1985). Intramolekulare 1,3-dipolare Cycloadditionen von Diarylnitriliminen aus 2,5-Diaryltetrazolen. Helvetica Chimica Acta, 68(5):1283-1300.

Obrecht, Daniel; Scholl, Bernhard; Heimgartner, Heinz (1985). Synthese von 3,3-Dimethylperhydro-1,4-diazepin-2,5,7-trionen aus 3-Dimethylamino-2,2-dimethyl-2H-azirin und Malonsäuremonoamiden. Helvetica Chimica Acta, 68(2):465-474.

Lukac, Josef; Heimgartner, Heinz (1985). Umlagerungsreaktionen von (2’-Propinyl)cyclohexadienolen und -semibenzolen. Helvetica Chimica Acta, 68(2):355-370.

1984

Büchel, Thomas; Prewo, Roland; Bieri, Jost H; Heimgartner, Heinz (1984). 1,3-Dipolare Cycloadditionen von Nitrilium-Betainen mit 4,4-Dimethyl-2-phenyl-2-thiazolin-5-thion. Helvetica Chimica Acta, 67:534-549.

Obrecht, Daniel; Heimgartner, Heinz (1984). Synthese eines cyclischen Depsipeptides mittels Amidcyclisierung. Helvetica Chimica Acta, 67:526-533.

Stierli, Friedrich; Prewo, Roland; Bieri, Jost H; Heimgartner, Heinz (1984). Synthese und Struktur von Zink-Komplexen von 2-Amino-1-azetinen. Helvetica Chimica Acta, 67:927-933.

1983

Stierli, Friedrich; Prewo, Roland; Bieri, Jost H; Heimgartner, Heinz (1983). Additionsreaktionen von 2-Amino-1-azetinen mit Cyclopropenonen; Bildung von Azepinderivaten durch Ringerweiterung. Helvetica Chimica Acta, 66:1366-1375.

Dähler, Marlise; Prewo, Roland; Bieri, Jost H; Heimgartner, Heinz (1983). Heterocyclole als Zwischenprodukte einer neuen, überraschenden Umlagerung bei der Reaktion von 3-(Dimethylamino)-2,2-dimethyl-2H-azirin mit monosubstituierten Parabansäuren. Helvetica Chimica Acta, 66:1456-1465.

Dietliker, Kurt; Heimgartner, Heinz (1983). Photochemisch induzierte Reaktionen von 3-Amino-2H-azirinen. Helvetica Chimica Acta, 66:262-295.

Stegmann, Werner; Uebelhart, Peter; Heimgartner, Heinz (1983). Spirocyclische 3-Oxazoline durch 1,3-dipolare Cycloaddition von Benzonitrilio-2-propanid mit 1,4-Chinonen. Helvetica Chimica Acta, 66:2252-2268.

1982

Obrecht, Daniel; Prewo, Roland; Bieri, Jost H; Heimgartner, Heinz (1982). 1,3-Dipolare Cycloadditionen von 2-(Benzonitrilio)-2-propanid mit 4,4-Dimethyl-2-phenyl-2-thiazolin-5-thion und Schwefelkohlenstoff. Helvetica Chimica Acta, 65:1825-1836.

Jenny, Christjohannes; Obrecht, Daniel; Heimgartner, Heinz (1982). Additionsreaktionen von 2-Thiazolin-5-thionen mit Acetylenen. Helvetica Chimica Acta, 65(8):2583-2586.

Dähler, Marlise; Prewo, Roland; Bieri, Jost H; Heimgartner, Heinz (1982). Reaktion von 3-Dimethylamino-2,2-dimethyl-2H-azirin mit 6-Methyluracil; Kristallstruktur der Reaktionsprodukte. Helvetica Chimica Acta, 65:2302-2312.

Inada, Akira; Heimgartner, Heinz (1982). Übergangsmetall-katalysierte Additionsreaktionen von 3-Phenyl-2H-azirinen und Acetylencarbonsäureestern. Helvetica Chimica Acta, 65(5):1489-1498.

1981

Prewo, Roland; Bieri, Jost H; Widmer, Ulrich; Heimgartner, Heinz (1981). Kristallstruktur eines Tetrahydro-1(1H)-isoindolons. Helvetica Chimica Acta, 64(5):1515-1521.

Link, Helmut; Bernauer, Karl; Daly, John J; Chaloupka, Stanislav; Heimgartner, Heinz (1981). Reaktion von 3-Dimethylamino-2,2-dimethyl-2H-azirin mit Barbitursäure. Helvetica Chimica Acta, 64(1):49-63.

Obrecht, Daniel; Heimgartner, Heinz (1981). Selektive Umfunktionalisierung der terminalen Amidgruppe offenkettiger Polyamide via 2-Oxazolin-5-one als Zwischenstufen. Helvetica Chimica Acta, 64(2):482-487.

1980

Chaloupka, Stanislav; Bieri, Jost H; Heimgartner, Heinz (1980). Struktur des Hydrazinolyseproduktes von N-(3-Oxo-1-isoindolinyliden)alanin-äthylester. Helvetica Chimica Acta, 63(7):1797-1804.

1979

Percival, Paul W (1979). Muonium chemistry. Radiochimica Acta: international journal for chemical aspects of nuclear science and technology, 26(1):1-14.

Schmid, Ursula; Heimgartner, Heinz; Schmid, Hans (1979). Additionsreaktion von 3-Dimethylamino-2,2-dimethyl-2H-azirin mit Phenylisothiocyanat. Helvetica Chimica Acta, 62(1):160-170.

Mukherjee-Müller, Gabriele; Heimgartner, Heinz; Schmid, Hans (1979). Additionsreaktionen von 3-Dimethylamino-2,2-dimethyl-2H-azirin an Phenylisocyanat und Diphenylketen. Helvetica Chimica Acta, 62(5):1429-1441.

Bruhn, Jens; Heimgartner, Heinz; Schmid, Hans (1979). Die Cope-Umlagerung als Prinzip einer repetierbaren Ringerweiterung. Helvetica Chimica Acta, 62(8):2630-2654.

Chaloupka, Stanislav; Heimgartner, Heinz (1979). Reaktion von 3-Amino-2H-azirinen mit Diphenylcyclopropenthion. Helvetica Chimica Acta, 62(1):86-89.

Mukherjee-Müller, Gabriele; Chaloupka, Stanislav; Heimgartner, Heinz; Schmid, Hans; Link, Helmut; Bernauer, Karl; Schönholzer, Peter; Daly, John J (1979). Reaktionen von 3-Dimethylamino-2,2-dimethyl-2H-azirin mit NH-aciden Heterocyclen; Synthese von 4H-Imidazolen. Helvetica Chimica Acta, 62(3):768-778.

1978

Scholl, Bernhard; Bieri, Jost H; Heimgartner, Heinz (1978). 1,5,6,7-Tetrahydro-2H-[1,4]diazepin-5,7-dione aus Malonimiden und 3-Dimethylamino-2,2-dimethyl-2H-azirin. Helvetica Chimica Acta, 61(8):3050-3067.

Bieri, Jost H; Meier, Hansruedi; Heimgartner, Heinz (1978). Kristallstruktur eines überbrückten 1,2,3-Oxadiazolidin-5-ons. Helvetica Chimica Acta, 61(3):1091-1096.

Link, Helmut; Bernauer, Karl; Chaloupka, Stanislav; Heimgartner, Heinz; Schmid, Hans (1978). Reaktionsprodukte aus 3-Dimethylamino-2,2-dimethyl-2H-azirin und Phthalohydrazid bzw. Maleohydrazid. Helvetica Chimica Acta, 61(6):2116-2129.

Nakamura, Yushin; Bachmann, Kurt; Heimgartner, Heinz; Schmid, Hans; Daly, John J (1978). Stickstoffhaltige Dieisen-hexacarbonyl-Komplexe aus 3-Phenyl-2H-azirinen. Helvetica Chimica Acta, 61:589-606.

Widmer, Ulrich; Heimgartner, Heinz; Schmid, Hans (1978). Synthese von 3-Dimethylamino-3a,4,5,7a-tetrahydro-1H-isoindol-1-onen durch intramolekulare Diels-Alder-Reaktion. Helvetica Chimica Acta, 61:815-821.

Märky, Michael; Meier, Hansruedi; Wunderli, Alfred; Heimgartner, Heinz; Schmid, Hans; Hansen, Hans-Jürgen (1978). Zum photochemischen Verhalten von Sydnonen und 1,3,4-Oxadiazolin-2-onen. Helvetica Chimica Acta, 61(4):1477-1510.

Waespe, Hans-Rudolf; Heimgartner, Heinz; Schmid, Hans; Hansen, Hans-Jürgen; Paul, Henning; Fischer, Hanns (1978). Zur Photochemie von Allylaryläthern. Helvetica Chimica Acta, 61:401-429.

1977

Lukac, Josef; Bieri, Jost H; Heimgartner, Heinz (1977). Die Struktur des Adduktes aus 3-Dimethylamino-2,2-dimethyl-2H-azirin und 3-Methyl-2,4-diphenyl-1,3-oxazolium-5-olat. Helvetica Chimica Acta, 60(5):1657-1664.

Chandrasekhar, B Parthasarathi; Heimgartner, Heinz; Schmid, Hans (1977). Reaktionen von 3-Dimethylamino-2,2-dimethyl-2H-azirin mit Phenolen und Halogenaromaten. Helvetica Chimica Acta, 60(227):2270-2287.

Chaloupka, Stanislav; Vitorelli, Piero; Heimgartner, Heinz; Schmid, Hans; Bernauer, Karl; Link, Helmut; Oberhänsli, Willi E (1977). Synthese und Reaktionen 8-gliedriger Heterocyclen aus 3-Dimethylamino-2,2-dimethyl-2H-azirin und Saccharin bzw. Phthalimid. Helvetica Chimica Acta, 60(7):2476-2495.

Meier, Hansruedi; Heimgartner, Heinz (1977). Thermisch und photochemisch induzierte intramolekulare, 1,3-dipolare Cycloadditionen von 5-(2-Allyloxyphenyl)-2-phenyltetrazol. Helvetica Chimica Acta, 60(297):3035-3038.

Wehrli, Rudolf; Heimgartner, Heinz; Schmid, Hans; Hansen, Hans-Jürgen (1977). Thermische (E),(Z)-Isomerisierungen bei substituierten Propenylbenzolen. Helvetica Chimica Acta, 60(6):2034-2061.

Meier, Hansruedi; Heimgartner, Heinz; Schmid, Hans (1977). Thermische und photochemisch induzierte intramolekulare, 1,3-dipolare Cycloadditionen von 4-Phenyl-3-(2-allylphenyl)-sydnon. Helvetica Chimica Acta, 60(3):1087-1090.

Gerber, Ulrich; Heimgartner, Heinz; Schmid, Hans; Heinzelmann, Willy (1977). Zur Regioselektivitat von Cycloadditionen photochemisch erzeugter Benzonitril-isopropylide. Helvetica Chimica Acta, 60(3):687-696.

1976

Schmid, Ursula; Heimgartner, Heinz; Schmid, Hans; Oberhänsli, Willi E (1976). Additionsreaktionen von 3-Dimethylamino-2,2-dimethyl-2H-azirin an Isothiocyanate. Helvetica Chimica Acta, 59(8):2768-2785.

Chaloupka, Stanislav; Heimgartner, Heinz; Schmid, Hans; Link, Helmut; Schönholzer, Peter; Bernauer, Karl (1976). Herstellung und Reaktionen der valenzpolaromeren Verbindung (4,4-Dimethyl-2-thiazolin-5-dimethyliminium)-2-thiolat - (1-Dimethylthiocarbamoyl-1-methyl-äthyl)-isothiocyanat aus 3-Dimethylamino-2,2-dimethyl-2H-azirin und Schwefelkohlenstoff. Helvetica Chimica Acta, 59(7):2566-2591.

Dietliker, Kurt; Gilgen, Paul; Heimgartner, Heinz; Schmid, Hans (1976). Photochemie von in 4-Stellung substituierten 5-Methyl-3-phenyl-isoxazole. Helvetica Chimica Acta, 59(6):2074-2099.

Gakis, Nikolas; Märky, Michael; Hansen, Hans-Jürgen; Heimgartner, Heinz; Schmid, Hans; Oberhänsli, Willi E (1976). Photochemische Synthese von 4-Phenyl-3-oxazolin-5-onen und deren thermische Dimerisierung. Helvetica Chimica Acta, 59(6):2149-2167.

Stegmann, Werner; Gilgen, Paul; Heimgartner, Heinz; Schmid, Hans (1976). Photoinduzierte Cycloadditionen von 2,2-Dimethyl-3-phenyl-2H-azirin an Nitrile und "push-pull"-Olefine. Helvetica Chimica Acta, 59(4):1018-1027.

1975

Chandrasekhar, B Parthasarathi; Schmid, Ursula; Schmid, Rudolf; Heimgartner, Heinz; Schmid, Hans (1975). Additionen von 2,2-Dimethyl-3-dimethylamino-2H-azirin an 2-Formyl-cycloalkanone und Sulfinsäuren. Helvetica Chimica Acta, 58(4):1191-1200.

Schmid, Ursula; Heimgartner, Heinz; Schmid, Hans; Schönholzer, Peter; Link, Helmut; Bernauer, Karl (1975). Die Struktur einer stabilen dipolaren Verbindung aus 2,2-Dimethyl-3-dimethylamino-2H-azirin und Benzoylisothiocyanat. Helvetica Chimica Acta, 58(7):2222-2227.

Widmer, Ulrich; Heimgartner, Heinz; Schmid, Hans (1975). Photochemie von 1,1-Dimethyl-4-phenyl- und 1-Methyl-1-phenyl-1,2-dihydronaphthalin; Nachweis einer photochemischen, sigmatropischen [1,7]H-Verschiebung. Helvetica Chimica Acta, 58(7):2210-2222.

Gakis, Nikolas; Heimgartner, Heinz; Schmid, Hans (1975). Photochemische Cycloadditionen von 3-Phenyl-2H-azirinen mit Benzoyl-, Äthoxycarbonyl- und Vinylphosphonaten. Helvetica Chimica Acta, 58(3):748-760.

Orahovats, Alexander S; Heimgartner, Heinz; Schmid, Hans; Heinzelmann, Willy (1975). Photochemische Erzeugung und Reaktionen des Benzonitril-benzylids. Helvetica Chimica Acta, 58(8):2662-2677.

Gilgen, Paul; Hansen, Hans-Jürgen; Heimgartner, Heinz; Sieber, Willi; Uebelhart, Peter; Schmid, Hans; Schönholzer, Peter; Oberhänsli, Willi E (1975). Photoinduzierte Reaktionen von 3-Phenyl-2H-azirinen mit Carbonsäureestern. Helvetica Chimica Acta, 58(6):1739-1768.

1974

Schmid, Ursula; Gilgen, Paul; Heimgartner, Heinz; Hansen, Hans-Jürgen; Schmid, Hans (1974). Photochemische Cycloadditionen von 3-Phenyl-2H-azirinen an Carbonsäurechloride. Helvetica Chimica Acta, 57(5):1393-1403.

Claus, Peter; Gilgen, Paul; Hansen, Hans-Jürgen; Heimgartner, Heinz; Jackson, Barry; Schmid, Hans (1974). Photochemische Cycloadditionen von 3-Phenyl-2H-azirinen mit Ketonen, Acylcyaniden und Ketoestern. Helvetica Chimica Acta, 57(7):2173-2192.

Gakis, Nikolas; Heimgartner, Heinz; Schmid, Hans (1974). Photochemische Cycloadditionen von 3-Phenyl-2H-azirinen mit Triphenyl-vinylphosphoniumbromid. Helvetica Chimica Acta, 57(5):1403-1407.

Gilgen, Paul; Heimgartner, Heinz; Schmid, Hans (1974). Photoinduzierte 1,3-dipolare Cycloaddition von 3-Phenyl-2H-azirinen an Azodicarbonsäure-diäthylester. Helvetica Chimica Acta, 57(5):1382-1392.

Orahovats, Alexander S; Heimgartner, Heinz; Schmid, Hans; Heinzelmann, Willy (1974). Photoinduzierte Cycloadditionen von aliphatischen 2H-Azirinen. Helvetica Chimica Acta, 57(8):2626-2633.

Gilgen, Paul; Jackson, Barry; Hansen, Hans-Jürgen; Heimgartner, Heinz; Schmid, Hans (1974). Synthese von 2H-Isoindol-4,7-dionen durch photochemische Cycloaddition von 2,3-Diphenyl-2H-azirin an 1,4-Chinone. Helvetica Chimica Acta, 57(8):2634-2643.

1973

Vepřek, S (1973). Transport of carbon in nonisothermal low pressure nitrogen plasma. Zeitschrift für Physikalische Chemie, 86(1_2):95-107.

Heimgartner, Heinz; Zsindely, Janos; Hansen, Hans-Jürgen; Schmid, Hans (1973). Aromatische [1,5s]-sigmatropische H-Verschiebungen in Arylallenen. Helvetica Chimica Acta, 56(8):2924-2945.

Giezendanner, Heinz; Heimgartner, Heinz; Jackson, Barry; Winkler, Tammo; Hansen, Hans-Jürgen; Schmid, Hans (1973). Photochemische Cycloadditionen von 3-Phenyl-2H-azirinen mit Aldehyden. Helvetica Chimica Acta, 56(7):2611-2627.

Orahovats, Alexander S; Jackson, Barry; Heimgartner, Heinz; Schmid, Hans (1973). Photoinduzierte Cycloadditionen von 3-Benzyl-2H-azirin. Helvetica Chimica Acta, 56(6):2007-2011.

Narasimhand, Nurani S; Heimgartner, Heinz; Hansen, Hans-Jürgen; Schmid, Hans (1973). Thermische Reaktionen mit 3-Phenyl-2H-azirinen; 1,3-dipolare Cycloadditionen und En-Reaktionen. Helvetica Chimica Acta, 56(4):1351-1370.

1972

Heimgartner, Heinz; Zsindely, Janos; Hansen, Hans-Jürgen; Schmid, Hans (1972). Die Dienol-Benzol-Umlagerung von Propargylcyclohexadienolen: aromatische [1,2]-, [3,3]- und [3,4]-sigmatropische Umlagerungen. Helvetica Chimica Acta, 55(4):1113-1141.

Sieber, Willi; Heimgartner, Heinz; Hansen, Hans-Jürgen; Schmid, Hans (1972). Photochemisches Verhalten von 1- und 2-alkylierten 1,2-Dihydronaphthalinen bei tiefen Temperaturen. Helvetica Chimica Acta, 55(8):3005-3026.

Heimgartner, Heinz; Hansen, Hans-Jürgen; Schmid, Hans (1972). Thermisches Verhalten von 1,2-Dipropenylbenzolen. Helvetica Chimica Acta, 55(5):1385-1403.

1971

Heimgartner, Heinz; Ulrich, Linus; Hansen, Hans-Jürgen; Schmid, Hans (1971). Photochemisches Verhalten von 1- und 2-alkylierten 1,2-Dihydronaphtalinen. Helvetica Chimica Acta, 54(7):2313-2354.

1970

Heimgartner, Heinz; Zsindely, Janos; Hansen, Hans-Jürgen; Schmid, Hans (1970). Thermisches Verhalten von Mesitylallenen; Beispiel einer aromatischen [1,5s]-sigmatropischen H-Verschiebung. Helvetica Chimica Acta, 53(5):1212-1215.

Heimgartner, Heinz; Hansen, Hans-Jürgen; Schmid, Hans (1970). Thermisches Verhalten von o-Dipropenylbenzol, Beispiel einer aromatischen [1,7]-sigmatropischen H-Verschiebung. Helvetica Chimica Acta, 53(1):173-176.

1960

Wagener, K (1960). Über die Jodaufnahme des Silberjodids. Zeitschrift für Physikalische Chemie, 25(1_2):135-138.

Wagener, K (1960). Die Druckabhängigkeit der Ionenleitfähigkeit anomaler Mischkristalle von AgBr und AgJ. Zeitschrift für Physikalische Chemie, 23(5_6):305-312.

1959

Wagener, K (1959). Thermokraftmessungen am Silberjodid. Zeitschrift für Physikalische Chemie, 21(1_2):74-81.

This list was generated on Fri Jul 10 01:20:00 2020 CEST.