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Number of items at this level: 326.

Journal Article

Iannuzzi, Marcella; Kalichava, Irakli; Ma, Haifeng; Leake, Steven J; Zhou, Haitao; Li, Geng; Zhang, Yi; Bunk, Oliver; Gao, Hongjun; Hutter, Jürg; Willmott, Philip R; Greber, Thomas (2013). Moiré beatings in graphene on Ru(0001). Physical Review B, 88(12):125433.

Winterflood, Christian; Ruckstuhl, Thomas; Seeger, Stefan (2013). Fast and sensitive interferon-γ assay using supercritical angle fluorescence. Biosensors, 3(1):108-115.

Donaldson, Paul M; Hamm, Peter (2013). Gold nanoparticle capping layers: structure, dynamics, and surface enhancement measured using 2D-IR spectroscopy. Angewandte Chemie (International ed. in English), 52(2):634-638.

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.

Guttentag, Miguel; Rodenberg, Alexander; Bachmann, Cyril; Senn, Anna; Hamm, Peter; Alberto, Roger (2013). A highly stable polypyridyl-based cobalt catalyst for homo- and heterogeneous photocatalytic water reduction. Dalton Transactions, 42(2):334-337.

Hamm, Peter; Zewail, Ahmed H; Fleming, Graham R (2013). A tribute to Robin Hochstrasser. Chemical Physics, 422:1-7.

Laskowski, Robert; Blaha, Peter; Tran, Fabien (2013). Assessment of DFT functionals with NMR chemical shifts. Physical Review B, 87(19):195130.

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.

Crepaldi, A; Pons, S; Frantzeskakis, E; Calleja, F; Etzkorn, M; Seitsonen, A P; Kern, K; Brune, H; Grioni, M (2013). Combined ARPES and STM study of Pb/Au(111) Moire structure: One overlayer, two symmetries. Physical Review B, 87(11):115138.

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.

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.

Fukazawa, Kyoko; Li, Qiang; Seeger, Stefan; Ishihara, Kazuhiko (2013). Direct observation of selective protein capturing on molecular imprinting substrates. Biosensors & Bioelectronics, 40(1):96-101.

Bryk, Taras; De Panfilis, Simone; Gorelli, Federico A; Gregoryanz, Eugene; Krisch, Michael; Ruocco, Giancarlo; Santoro, Mario; Scopigno, Tullio; Seitsonen, Ari P (2013). Dynamical crossover at the liquid-liquid transformation of a compressed molten alkalI metal. Physical Review Letters, 111(7):077801.

Oikkonen, L E; Ganchenkova, M G; Seitsonen, A P; Nieminen, R M (2013). Effect of sodium incorporation into CuInSe2 from first principles. Journal of Applied Physics, 114(8):083503.

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.

Ecija, David; Urgel, Jose I; Papageorgiou, Anthoula C; Joshi, Sushobhan; Auwaerter, Willi; Seitsonen, Ari P; Klyatskaya, Svetlana; Ruben, Mario; Fischer, Sybille; Vijayaraghavan, Saranyan; Reichert, Joachim; Barth, Johannes V (2013). Five-vertex Archimedean surface tessellation by lanthanide-directed molecular self-assembly. Proceedings of the National Academy of Sciences of the United States of America, 110(17):6678-6681.

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.

Koller, David; Blaha, Peter; Tran, Fabien (2013). Hybrid functionals for solids with an optimized Hartree-Fock mixing parameter. Journal of Physics: Condensed Matter, 25(43):435503.

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.

Varkey, Elizabeth C; Hutter, Jürg; Limacher, Peter A; Lüthi, Hans P (2013). Impact of donor-acceptor functionalization on the properties of linearly π-conjugated oligomers: establishing quantitative relationships for the substituent and substituent cooperative effect based on quantum chemical calculations. Journal of Organic Chemistry, 78(24):12681-12689.

Buchli, Brigitte; Waldauer, Steven A; Walser, Reto; Donten, Mateusz L; Pfister, Rolf; Blöchliger, Nicolas; Steiner, Sandra; Caflisch, Amedeo; Zerbe, Oliver; Hamm, Peter (2013). Kinetic response of a photoperturbed allosteric protein. Proceedings of the National Academy of Sciences of the United States of America, 110(29):11725-11730.

Oikkonen, L E; Ganchenkova, M G; Seitsonen, A P; Nieminen, R M (2013). Mass transport in CuInSe2 from first principles. Journal of Applied Physics, 113(13):133510.

Mojarad, Nassiredin; Sandoghdar, Vahid; Krishnan, Madhavi (2013). Measuring three-dimensional interaction potentials using optical interference. Optics Express, 21(8):9377-9389.

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.

Rabe, Michael; Soragni, Alice; Reynolds, Nicholas P; Verdes, Dorinel; Liverani, Ennio; Riek, Roland; Seeger, Stefan (2013). On-surface aggregation of α-Synuclein at nanomolar concentrations results in two distinct growth mechanisms. ACS Chemical Neuroscience, 4(3):408-417.

Stojanovic, Ana; Olveira, Sandro; Fischer, Maria; Seeger, Stefan (2013). Polysiloxane Nanotubes. Chemistry of Materials, 25(14):2787-2792.

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

Pokrovski, Gleb S; Roux, Jacques; Ferlat, Guillaume; Jonchiere, Romain; Seitsonen, Ari P; Vuilleumier, Rodolphe; Hazemann, Jean-Louis (2013). Silver in geological fluids from in situ X-ray absorption spectroscopy and first-principles molecular dynamics. Geochimica et Cosmochimica Acta, 106:501-523.

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.

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

Koitz, Ralph; Seitsonen, Ari P; Iannuzzi, Marcella; Hutter, Juerg (2013). Structural and electronic properties of a large-scale Moiré pattern of hexagonal boron nitride on Cu(111) studied with density functional theory. Nanoscale, 5(12):5589-5595.

Doemer, Manuel; Spura, Thomas; Khaliullin, Rustam Z; Kuehne, Thomas D (2013). Tetraedrisch, wenn flüssig. Nachrichten aus der Chemie, 61(12):1203-1206.

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

Savolainen, J; Ahmed, S; Hamm, P (2013). Two-dimensional Raman-terahertz spectroscopy of water. Proceedings of the National Academy of Sciences of the United States of America, 110(51):20402-20407.

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.

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.

Hamm, Peter; Stock, Gerhard (2012). Vibrational Conical Intersections as a Mechanism of Ultrafast Vibrational Relaxation. Physical Review Letters, 109(17):173201.

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.

Piccinno, Fabiano; Gottschalk, Fadri; Seeger, Stefan; Nowack, Bernd (2012). Industrial production quantities and uses of ten engineered nanomaterials in Europe and the world. Journal of Nanoparticle Research, 14(9):1109-1120.

Vijayaraghavan, Saranyan; Ecija, David; Auwaerter, Willi; Joshi, Sushobhan; Seufert, Knud; Seitsonen, Ari P; Tashiro, Kentaro; Barth, Johannes V (2012). Selective Supramolecular Fullerene-Porphyrin Interactions and Switching in Surface-Confined C-60-Ce(TPP)(2) Dyads. Nano letters, 12(8):4077-4083.

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

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.

Donaldson, Paul M; Strzalka, Halina; Hamm, Peter (2012). High sensitivity transient infrared spectroscopy: a UV/Visible transient grating spectrometer with a heterodyne detected infrared probe. Optics Express, 20(12):12761-12770.

Kara, Abdelkader; Enriquez, Hanna; Seitsonen, Ari P; Voon, L C Lew Yan; Vizzini, Sebastien; Aufray, Bernard; Oughaddou, Hamid (2012). Corrigendum to: A review on silicene - New candidate for electronics. Surface Science Reports, 67(5):141.

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.

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

Papageorgiou, Anthoula C; Fischer, Sybille; Reichert, Joachim; Diller, Katharina; Blobner, Florian; Klappenberger, Florian; Allegretti, Francesco; Seitsonen, Ari P; Barth, Johannes V (2012). Chemical transformations drive complex self-assembly of uracil on close-packed coinage metal surfaces. ACS nano, 6(3):2477-2486.

Eshet, Hagai; Khaliullin, Rustam Z; Kuehne, Thomas D; Behler, Joerg; Parrinello, Michele (2012). Microscopic Origins of the Anomalous Melting Behavior of Sodium under High Pressure. Physical Review Letters, 108(11):115701.

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.

Hess, Franziska; Farkas, Attila; Seitsonen, Ari P; Over, Herbert (2012). “First-Principles” kinetic monte carlo simulations revisited: CO oxidation over RuO2(110). Journal of Computational Chemistry, 33(7):757-766.

Hofmann, Jan Philipp; Rohrlack, Stefan F; Hess, Franziska; Goritzka, Jan C; Krause, Philipp P T; Seitsonen, Ari P; Moritz, Wolfgang; Over, Herbert (2012). Adsorption of chlorine on Ru(0001)-A combined density functional theory and quantitative low energy electron diffraction study. Surface Science, 606(3-4):297-304.

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.

Kara, Abdelkader; Enriquez, Hanna; Seitsonen, Ari P; Voon, L C Lew Yan; Vizzini, Sebastien; Aufray, Bernard; Oughaddou, Hamid (2012). A review on silicene - New candidate for electronics. Surface Science Reports, 67(1):1-18.

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.

Hahn, Konstanze R; Tricoli, Antonio; Santarossa, Gianluca; Vargas, Angelo; Baiker, Alfons (2012). First Principles Analysis of H2O Adsorption on the (110) Surfaces of SnO2, TiO2 and Their Solid Solutions. Langmuir, 28(2):1646-1656.

Makoudi, Younes; Arras, Emmanuel; Kepcija, Nenad; Krenner, Wolfgang; Klyatskaya, Svetlana; Klappenberger, Florian; Ruben, Mario; Seitsonen, Ari Paavo; Barth, Johannes V (2012). Hierarchically organized bimolecular ladder network exhibiting guided one-dimensional diffusion. ACS nano, 6(1):549-556.

Marsalek, Ondrej; Uhlig, Frank; Vandevondele, Joost; Jungwirth, Pavel (2012). Structure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics. Accounts of Chemical Research, 45(1):23-32.

Artus, G R J; Zimmermann, J; Reifler, F A; Brewer, S A; Seeger, S (2012). A superoleophobic textile repellent towards impacting drops of alkanes. Applied Surface Science, 258(8):3835-3840.

Enriquez, Hanna; Mayne, Andrew; Kara, Abdelkader; Vizzini, Sebastien; Roth, Silvan; Lalmi, Boubekeur; Seitsonen, Ari P; Aufray, Bernard; Greber, Thomas; Belkhou, Rachid; Dujardin, Gerald; Oughaddou, Hamid (2012). Adsorption of silicon on Au(110): An ordered two dimensional surface alloy. Applied Physics Letters, 101(2):021605.

Celebrano, Michele; Rosman, Christina; Sönnichsen, Carsten; Krishnan, Madhavi (2012). Angular trapping of anisometric nano-objects in a fluid. Nano letters, 12(11):5791-5796.

Joshi, Sushobhan; Ecija, David; Koitz, Ralph; Iannuzzi, Marcella; Seitsonen, Ari P; Hutter, Juerg; Sachdev, Hermann; Vijayaraghavan, Saranyan; Bischoff, Felix; Seufert, Knud; Barth, Johannes V; Auwaerter, Willi (2012). Boron nitride on Cu(111): an electronically corrugated monolayer. Nano letters, 12(11):5821-5828.

Caflisch, A; Hamm, P (2012). Complexity in Protein Folding: Simulation Meets Experiment. Current Physical Chemistry, 2:4-11.

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.

Ferlat, Guillaume; Seitsonen, Ari Paavo; Lazzeri, Michele; Mauri, Francesco (2012). Hidden polymorphs drive vitrification in B2O3. Nature Materials, 11(11):925-929.

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.

Mojarad, Nassiredin; Krishnan, Madhavi (2012). Measuring the size and charge of single nanoscale objects in solution using an electrostatic fluidic trap. Nature Nanotechnology, 7(7):448-452.

Ding, Y; Iannuzzi, M; Hutter, J (2012). Nano-ice models for the water aggregates observed on the h-BN/Rh(111) nanomesh. Journal of Physics: Condensed Matter, 24(44):445002.

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.

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.

Guttentag, Miguel; Rodenberg, Alexander; Kopelent, René; Probst, Benjamin; Buchwalder, Christian; Brandstätter, Marco; Hamm, Peter; Alberto, Roger (2012). Photocatalytic H2 production with a Rhenium/Cobalt system in water under acidic conditions. European Journal of Inorganic Chemistry, 2012(1):59-64.

Meseck, Georg R; Kontic, Roman; Patzke, Greta R; Seeger, Stefan (2012). Photocatalytic composites of silicone nanofilaments and TiO2Nanoparticles. Advanced Functional Materials, 22(21):4433-4438.

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.

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

Oikkonen, L E; Ganchenkova, M G; Seitsonen, A P; Nieminen, R M (2012). Redirecting focus in CuInSe2 research towards selenium-related defects. Physical Review B (Condensed Matter and Materials Physics), 86(16):165115.

Artus, Georg R J; Seeger, Stefan (2012). Scale-up of a reaction chamber for superhydrophobic coatings based on silicone nanofilaments. Industrial & Engineering Chemistry Research, 51(6):2631-2636.

Del Ben, Mauro; Hutter, Jueg; 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.

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.

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.

Reynolds, N P; Soragni, A; Rabe, M; Verdes, D; Liverani, E; Handschin, S; Riek, R; Seeger, S (2011). Mechanism of membrane interaction and disruption by α-synuclein. Journal of the American Chemical Society, 133(48):19366-19375.

Watkins, M; Pan, D; Wang, E G; Michaelides, A; VandeVondele, J; Slater, B (2011). Large variation of vacancy formation energies in the surface of crystalline ice. Nature Materials, 10(10):794-798.

Oikkonen, L E; Ganchenkova, M G; Seitsonen, A P; Nieminen, R M (2011). Vacancies in CuInSe(2): new insights from hybrid-functional calculations. Journal of Physics: Condensed Matter, 23(42):422202.

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.

Iannuzzi, M; Hutter, J (2011). Comparative study of the nature of chemical bonding of corrugated graphene on Ru(0001) and Rh(111) by electronic structure calculations. Surface Science, 605(15-16):1360-1368.

Rossel, F; Pivetta, M; Patthey, F; Cavar, E; Seitsonen, A P; Schneider, W-D (2011). Growth and characterization of fullerene nanocrystals on NaCl/Au(111). Physical Review. B, Condensed Matter and Materials Physics, 84(7):075426.

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.

Hahn, K R; Tricoli, A; Santarossa, G; Vargas, A; Baiker, A (2011). Theoretical study of the (110) surface of Sn(1) (-) (x)Ti(x)O(2) solid solutions with different distribution and content of Ti. Surface Science, 605(15-16):1476-1482.

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

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.

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.

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.

Helbing, J; Hamm, P (2011). Compact implementation of Fourier transform two-dimensional IR spectroscopy without phase ambiguity. Journal of the Optical Society of America B, 28(1):171-178.

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.

Satoh, H; Manabe, S; Ito, Y; Luethi, H P; Laino, T; Hutter, J (2011). Endocyclic cleavage in glycosides with 2,3-trans cyclic protecting groups. Journal of the American Chemical Society, 133(14):5610-5619.

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.

Enderlein, J; Gregor, I; Ruckstuhl, T (2011). Imaging properties of supercritical angle fluorescence optics. Optics Express, 19(9):8011-8018.

Ding, Y; Iannuzzi, M; Hutter, J (2011). Investigation of h-BN/Rh(111) nanomesh interacting with water and atomic hydrogen. CHIMIA International Journal for Chemistry, 65(4):256-259.

Li, Q; Seeger, S (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.

Forster, S P; Olveira, S; Seeger, S (2011). Nanotechnology in the market: promises and realities. International Journal of Nanotechnology, 8(6/7):592-613.

Matyus, E; Hutter, J; Mueller-Herold, U; Reiher, M (2011). On the emergence of molecular structure. Physical Review A, 83(5):082512.

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.

Zhang, J; Seeger, S (2011). Polyester materials with superwetting silicone nanofilaments for oil/water separation and selective oil absorption. Advanced Functional Materials, 21(24):4699-4704.

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.

Ruckstuhl, T; Verdes, D; Winterflood, C M; Seeger, S (2011). Simultaneous near-field and far-field fluorescence microscopy of single molecules. Optics Express, 19(7):6836-6844.

Ruckstuhl, T; Winterflood, C M; Seeger, S (2011). Supercritical angle fluorescence immunoassay platform. Analytical Chemistry, 83(6):2345-2350.

Zhang, J; Seeger, S (2011). Superoleophobe Silicon-Beschichtungen mit ultrakleinen Abrollwinkeln. Angewandte Chemie, 123(29):6782-6786.

Zhang, J; Seeger, S (2011). Superoleophobic coatings with ultralow sliding angles based on silicone nanofilaments. Angewandte Chemie International Edition, 50(29):6652-6656.

Milikisiyants, S; Steiner, U E; Henning, P (2011). The excited triplet state of azoalkanes: electron spin polarization and magnetic field effects during triplet- sensitized photolysis of trans-azocumene in solution. Applied Magnetic Resonance, 41(2-4):155-173.

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.

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.

Hamm, P (2011). Ultrafast time-resolved vibrational spectroscopy at University of Zurich. CHIMIA International Journal for Chemistry, 65(5):313-315.

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

Seeger, S; Locker, A; Jergen, C (2011). Working capital management in the Swiss chemical industry. Journal of Business Chemistry, 8(2):87-98.

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

Seitsonen, A P; Saitta, A M; Wassmann, T; Lazzeri, M; Mauri, F (2010). Structure and stability of graphene nanoribbons in oxygen, carbon dioxide, water, and ammonia. Physical Review B, 82(11):115425.

Schade, M; Moretto, A; Donaldson, P M; Toniolo , C; Hamm, P (2010). Vibrational energy transport through a capping layer of appropriately designed peptide helices over gold nanoparticles. Nano Letters, 10(8):3057-3061.

Steneteg, P; Abrikosov, I A; Weber, V; Niklasson, A M N (2010). Wave function extended Lagrangian Born-Oppenheimer molecular dynamics. Physical Review B, 82(7):075110.

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.

Helbing , J; Bonmarin, M (2010). Vibrational chiral spectroscopy with femtosecond laser pulses. EPJ Web of Conferences, 5:03004.

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.

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.

Schiffmann, F; VandeVondele, J; Hutter, J; Urakawa, A; Wirz, R; Baiker, A (2010). An atomistic picture of the regeneration process in dye sensitized solar cells. Proceedings of the National Academy of Sciences of the United States of America (PNAS), 107(11):4830-4833.

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.

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.

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.

Cai, J M; Ruffieux, P; Jaafar, R; Bieri, M; Braun, T; Blankenburg, S; Muoth, M; Seitsonen, A P; Saleh, M; Feng, X L; Mullen, K; Fasel, R (2010). Atomically precise bottom-up fabrication of graphene nanoribbons. Nature, 466(7305):470-473.

Li, G; Seeger, S (2010). Autofluorescence detection in analytical chemistry and biochemistry. Applied Spectroscopy Reviews, 45(1):12-43.

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.

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

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.

Bloem, R; Garrett-Roe, S; Strzalka, H; Hamm, P; Donaldson, P M (2010). Enhancing signal detection and completely eliminating scattering using quasi-phase-cycling in 2D IR experiments. Optics Express, 18(26):27067-27078.

Santarossa, G; Vargas, A; Iannuzzi, M; Baiker, A (2010). Free energy surface of two- and three-dimensional transitions of Au 12 nanoclusters obtained by ab initio metadynamics. Physical Review B, 81(17):174205.

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 cynamics. Journal of Physical Chemistry. C, 114(35):15042-15048.

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.

Stojanovic, A; Artus, G R J; Seeger, S (2010). Micropatterning of superhydrophobic silicone nanofilaments by a near-ultraviolet Nd:YAG laser. Nano Research, 3(12):889-894.

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.

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.

Winterflood, C M; Ruckstuhl, T; Verdes, D; Seeger, S (2010). Nanometer axial resolution by three-dimensional supercritical angle fluorescence microscopy. Physical Review Letters, 105(10):108103.

Brugger, T; Ma, H; Iannuzzi, M; Berner, S; Winkler, A; Hutter, J; Osterwalder, J; Greber, T (2010). Nanotexture switching of single-layer hexagonal boron nitride on rhodium by intercalation of hydrogen atoms. Angewandte Chemie International Edition, 49(35):6120-6124.

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.

Watkins, M; VandeVondele, J; Slater, B (2010). Point defects at the ice (0001) surface. Proceedings of the National Academy of Sciences of the United States of America (PNAS), 107(28):12429-12434.

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.

Auwarter, W; Seufert, K.; Klappenberger, F; Reichert, J; Weber-Bargioni, A; Verdini, A; Cvetko, D; Dell'Angela, M; Floreano, L; Cossaro, A.; Bavdek, G; Morgante, A; Seitsonen, A P; Barth, J V (2010). Site-specific electronic and geometric interface structure of Co-tetraphenyl-porphyrin layers on Ag(111). Physical Review. B, Condensed Matter and Materials Physics, 81(24):245403.

Morscher, M; Seitsonen, A; Ito, S; Takagi, H; Dragoe, N; Greber, T (2010). Strong 3p-T1u hybridization in Ar@C60. Physical Review. A, Atomic, Molecular and Optical Physics, 82(5):051201.

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.

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.

Mundy, C J; Kathmann, S M; Schenter, G K; Rousseau, R; VondeVondele, J; Hutter, J (2010). Toward an understanding of complex chemical systems. SciDAC Review, 17:10-21.

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.

Vargas, A; Santarossa, G; Iannuzzi, M; Baiker, A (2009). Fluxionality of gold nanoparticles investigated by Born-Oppenheimer molecular dynamics. Physical Review. B, Condensed Matter and Materials Physics, 80(19):195421.

Paier, J; Diaconu, C V; Scuseria, G E; Guidon, M; VandeVondele, J; Hutter, J (2009). Accurate Hartree-Fock energy of extended systems using large Gaussian basis sets. Physical Review B, 80(17):174114.

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.

Mukamel, S; Tanimura, Y; Hamm, P (2009). Coherent multidimensional optical spectroscopy. Accounts of Chemical Research, 42(9):1207-1209.

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.

Gonzalez Szwacki, N; Weber, V; Tymczak, C J (2009). Aromatic Borozene. Nanoscale Research Letters, 4(9):1085-1089.

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.

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, TT; 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.

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.

Adriaanse, C; Sulpizi, M; VandeVondele, J; Sprik, M (2009). The Electron Attachment Energy of the Aqueous Hydroxyl Radical Predicted from the Detachment Energy of the Aqueous Hydroxide Anion. Journal of the American Chemical Society, 131(17):6046-6047.

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.

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.

Helbing, J; Bonmarin, M (2009). Time-Resolved Chiral Vibrational Spectroscopy. CHIMIA International Journal for Chemistry, 63(3):128-133.

Hamm, P (2009). For Structural Biology, Try Infrared Instead. Structure, 17(2):149-150.

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.

Rabe, Michael; Verdes, Dorinel; Seeger, Stefan (2009). Surface-induced spreading phenomenon of protein clusters. Soft Matter, 5(5):1039-1047.

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.

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.

Li, Q; Seeger, S (2009). Deep UV sensing of the interaction of porphyrin with bovine serum albumin protein. Sensors and Actuators B: Chemical, 139(1):118-124.

Belin, G K; Seeger, S (2009). Direct determination of native proteins in miniaturized capillary electrophoresis system. Journal of Nanoscience and Nanotechnology, 9(4):2645-2650.

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.

Hamm, P (2009). Femtosecond IR Pump-Probe Spectroscopy of Nonlinear Energy Localization in Protein Models and Model Proteins. Journal of Biological Physics, 35(1):17-30.

Bonmarin, M; Helbing, J (2009). Polarization control of ultrashort mid-IR laser pulses for transient vibrational circular dichroism measurements. Chirality, 21(1E):E298-E306.

Belin, G K; Seeger, S (2009). Rapid analysis of serotonin and propranolol using miniaturized CE with deep-UV fluorescence detector. Electrophoresis, 30(14):2565-2571.

Zimmermann, J; Seeger, S; Reifler, F A (2009). Water shedding angle: a new technique to evaluate the water-repellent properties of superhydrophobic surfaces. Textile Research Journal, 79(17):1565-1570.

Garrett-Roe, S; Hamm, P (2009). What can we learn from three-dimensional infrared spectroscopy? Accounts of Chemical Research, 42(9):1412-1422.

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.

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.

Backus, E H G; Garrett-Roe, S; Hamm, P (2008). Phasing problem of heterodyne-detected two-dimensional infrared spectroscopy. Optics Letters, 33(22):2665-2667.

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.

Anderson, K E; Siepmann , J I; McMurry, P H; VandeVondele, J (2008). Importance of the number of acid molecules and the strength of the base for double-ion formation in (H2SO4)m x base x (H2O)6 clusters. Journal of the American Chemical Society, 130(43):14144-14147.

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.

Bonmarin, M; Helbing, J (2008). A picosecond time-resolved vibrational circular dichroism spectrometer. Optics Letters, 33(18):2086-2088.

Hamm, P; Tsironis, G P (2008). Barrier crossing to the small Holstein polaron regime. Physical Review B, 78(9):092301.

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.

Ihalainen, J A; Paoli, B; Muff, S; Backus, E H G; Bredenbeck, J; Woolley, G A; Caflisch, A; Hamm, P (2008). Alpha-Helix folding in the presence of structural constraints. Proceedings of the National Academy of Sciences of the United States of America (PNAS), 105(28):9588-9593.

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.

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.

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.

Huber, J R (2008). A brief history of the Institute of Physical Chemistry at the University of Zurich: Written on the occasion of the 75th anniversary of the institute 1931-2006. CHIMIA International Journal for Chemistry, 62 (3):103-110.

Seeger, S (2008). A smart recipe of chemistry and management. CHIMIA International Journal for Chemistry, 62(3):122-125.

Zimmermann, J; Rabe, M; Verdes, D; Seeger, S (2008). Functionalized silicone nanofilaments: a novel material for selective protein enrichment. Langmuir, 24(3):1053-1057.

Zimmermann, J; Reifler, F A; Fortunato , G; Gerhardt, L C; Seeger, S (2008). A simple, one step approach to durable and robust superhydrophobic textiles. Advanced Functional Materials, 18(22):3662-3669.

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.

Sinicropi, A; Martin, E; Ryazantsev, M; Helbing, J; Briand, J; Sharma, D; Léonard, J; Haacke, S; Cannizzo, A; Chergui, M; Zanirato, V; Fusi, S; Santoro, F; Basosi, R; Ferré, N; Olivucci, M (2008). An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds. Proceedings of the National Academy of Sciences of the United States of America (PNAS), 105(46):17642-17647.

Schiffmann, F; Hutter, J; VandeVondele, J (2008). Atomistic simulations of a solid/liquid interface: a combined force field and first principles approach to the structure and dynamics of acetonitrile near an anatase surface. Journal of Physics: Condensed Matter, 20(6):064206.

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.

Masson, F; Laino, T; Tavernelli, I; Rothlisberger, U; Hutter, J (2008). Computational study of Thymine dimer radical anion splitting in the self-repair process of duplex DNA. Journal of the American Chemical Society, 130(11):3443-3450.

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.

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

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.

Zimmermann, J; Rabe, M; Artus, G R J; Seeger, S (2008). Patterned superfunctional surfaces based on a silicone nanofilament coating. Soft Matter, 4(3):450-452.

Ries, J; Ruckstuhl, T; Verdes, D; Schwille, P (2008). Supercritical angle fluorescence correlation spectroscopy. Biophysical Journal, 94(1):221-229.

Zimmermann, J; Artus, G R J; Seeger, S (2008). Superhydrophobic silicone nanofilament coatings. Journal of Adhesion Science and Technology, 22(3-4):251-263.

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.

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

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.

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.

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.

VandeVondele, J; Sulpizi, M; Sprik, M (2007). Electron transfer properties from atomistic simulations and density functional theory. CHIMIA International Journal for Chemistry, 61(4):155-158.

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.

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.

Cervetto, V; Pfister, R; Kolano, C; Bregy, A; Heimgartner, H; Helbing, J (2007). Coexistence of hydrogen-bonded loop and extended tetrapeptide conformations. Chemistry - A European Journal, 13(32):9004-9011.

Laino, T; Donadio, D; Kuo, I F W (2007). Migration of positively charged defects in alpha-quartz. Physical Review. B, Condensed Matter and Materials Physics, 76(19):195210.

VandeVondele, J; Ayala, R; Sulpizi, M; Sprik, M (2007). Redox free energies and one-electron energy levels in density functional theory based ab initio molecular dynamics. Journal of Electroanalytical Chemistry, 607(1-2):113-120.

Urakawa, A; Iannuzzi, M; Hutter, J; Baiker, A (2007). Towards a rational design of ruthenium CO2 hydrogenation catalysts by Ab initio metadynamics. Chemistry - A European Journal, 13(24):6828-6840.

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

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.

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

Pacile, D; Ast, C R; Papagno, M; Da Silva, C; Moreschini, L; Falub, M; Seitsonen, A P; Grioni, M (2006). Electronic structure of an ordered Pb/Ag(111) surface alloy: Theory and experiment. Physical Review. B, Condensed Matter and Materials Physics, 73(24):245429.

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.

Tamai, A; Seitsonen, A P; Greber, T; Osterwalder, J (2006). Large dispersion of incoherent spectral features in highly ordered C60 chains. Physical Review. B, Condensed Matter and Materials Physics, 74(8):085407.

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.

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

Knapp, M; Crihan, D; Seitsonen, A P; Over, H (2005). Hydrogen transfer reaction on the surface of an oxide catalyst. Journal of the American Chemical Society, 127(10):3236-3237.

Hutter, J; Curioni, A (2005). Dual-level parallelism for ab initio molecular dynamics: Reaching teraflop performance with the CPMD code. Parallel Computing, 31(1):1-17.

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.

Hutter, J; Iannuzzi, M (2005). CPMD: Car-Parrinello molecular dynamics. Zeitschrift für Kristallographie, 220(5/6/20):549-551.

Kirchner, B; Reiher, M; Hille, A; Hutter, J; Hess, B A (2005). Car-Parrinello molecular dynamics study of the initial dinitrogen reduction step in Sellmann-type nitrogenase model complexes. Chemistry - A European Journal, 11(2):574-583.

Tamai, A; Seitsonen, A P; Fasel, R; Shen, Z X; Osterwalder , J; Greber, T (2005). Doping-induced reorientation of C60 molecules on Ag(111). Physical Review. B, Condensed Matter and Materials Physics, 72(8):085421.

Iannuzzi, M; Chassaing, T; Wallman, T; Hutter, J (2005). Ground and excited state density functional calculations with the Gaussian and augmented-plane-wave method. CHIMIA International Journal for Chemistry, 59(7):499-503.

He, Y; Seitsonen, A P; Over, H (2005). Irregular stacking sequence in the initial growth of ultrathin Rh films on Ru(0001). Physical Review. B, Condensed Matter and Materials Physics, 72(7):075432.

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, UF; 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.

VandeVondele, J; Krack, M; Mohamed, F; Parrinello, M; Chassaing, T; Hutter, J (2005). QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach. Computer Physics Communications, 167(2):103-128.

Muntwiler, M; Auwarter, W; Seitsonen, A P; Osterwalder, J; Greber, T (2005). Rocking-motion-induced charging of C60 on h-BN/Ni(111). Physical Review. B, Condensed Matter and Materials Physics, 71(12):121402.

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.

McGrath, M J; Siepmann, J I; Kuo, I F W; Mundy, C J; VandeVondele, J; Sprik, M; Hutter, J; Mohamed, F; Krack, M; Parrinello, M (2005). Toward a Monte Carlo program for simulating vapor–liquid phase equilibria from first principles. Computer Physics Communications, 169(1-3):289-294.

Assmann, J; Crihan, D; Knapp, M; Lundgren, E; Loffler, E; Muhler, M; Narkhede, V; Over, H; Schmid, M; Seitsonen, A P; Varga, P (2005). Understanding the structural deactivation of Ruthenium catalysts on an atomic scale under both oxidizing and reducing conditions. Angewandte Chemie International Edition, 44(6):917-920.

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.

Pussi, K; Lindroos, M; Katainen, J; Habermehl-Cwirzen, K; Lahtinen, J; Seitsonen, A P (2004). The (√7 × √7)R19.1°-C6H6 adsorption structure on Co{0001}: a combined tensor LEED and DFT study. Surface Science, 572(1):1-10.

Reiher, M; Kirchner, B; Hutter, J; Sellmann, D; Hess, B A (2004). A photochemical activation scheme of inert dinitrogen by dinuclear Ru(II) and Fe(II) complexes. Chemistry - A European Journal, 10(18):4443-4453.

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.

Kirchner, B; Hutter, J; Kuo, I F W; Mundy, C J (2004). Hydrophobic hydration from Car-Parrinello simulations. International Journal of Modern Physics. B, Condensed Matter Physics, Statistical Physics, Applied Physics, 18(14):1951-1962.

Gleich, D; Hutter, J (2004). Computational approaches to activity in rhodium-catalysed hydroformylation. Chemistry - A European Journal, 10(10):2435-2444.

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.

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.

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.

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.

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.

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.

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.

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.

Wendt, S; Seitsonen, A P; Over, H (2003). Catalytic activity of RuO2(1 1 0) in the oxidation of CO. Catalysis Today, 85(2-4):167-175.

Bittner, A M; Epple, M; Kuhnke, K; Houriet, R; Heusler, A; Vogel, H; Seitsonen, A P; Kern, K (2003). Conformations of an amino–amido–thiolate self-assembled layer on gold in air and in electrolytes. Journal of Electroanalytical Chemistry, 550-55:113-124.

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, UF; 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.

Kirchner, B; Hutter, J (2002). The structure of a DMSO–water mixture from Car–Parrinello simulations. Chemical Physics Letters, 364(5-6):497-502.

Reiher, M; Kirchner, B (2002). A C2v-Symmetric Barbaralane. Angewandte Chemie International Edition, 41(18):3429-3433.

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.

Dellago, C; Geissler, PL; Chandler, D; Hutter, J; Parrinello, M (2002). Comment on “Dissociation of Water under Pressure”. Physical Review Letters, 89(19):199601.

Over, H; Seitsonen, A P (2002). Oxidation of metal surfaces. Science, 297(5589):2003-2005.

Kirchner, B; Reiher, M (2002). The secret of dimethyl sulfoxide-water mixtures. A quantum chemical study of 1DMSO-nwater clusters. Journal of the American Chemical Society, 124(21):6206-6215.

Geissler, P L; Dellago, C; Chandler, D; Hutter, J; Parrinello, M (2001). Autoionization in liquid water. Science, 291(5511):2121-2124.

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.

Book Section

Wagnière, Georges H (2012). On the interaction of light with molecules: pathways to the theoretical interpretation of chiroptical phenomena. In: Berova, Nina; Polavarapu, Prasad L; Nakanishi, Koji; Woody, Robert W. Comprehensive chiroptical spectroscopy. Hoboken, New Jersey, USA / Published simultaneously in Canada, 3-34.

Kirchner, Barbara; di Dio, Philipp J; Hutter, Juerg (2012). Real-World Predictions from Ab Initio Molecular Dynamics Simulations. In: Kirchner, B; Vrabec, J. Multiscale molecular methods in applied chemistry. Springer, 109-153. ISBN 978-3-642-24967-9.

Nguyen, P H; Hamm, P; Stock, G (2009). Nonequilibrium molecular dynamics simulation of photoinduced energy flow in peptides: theory meets experiment. In: Leitner, D M; Straub, J E. Proteins: energy, heat and signal flow. Boca Raton, FL, USA, 149-168. ISBN 978-1-4200-8703-1.

Hamm, P (2008). Ultrafast peptide and protein dynamics by vibrational spectroscopy. In: Braun, M; Gilch, P; Zinth, W. Ultrashort laser pulses in biology and medicine. Berlin, 77-94. ISBN 978-3-540-73565-6 (P) 978-3-540-73566-3 (E).

Conference or Workshop Item

Rehault, Julien; Helbing, Jan (2013). Exploring the polarization degrees of freedom in collinear two-dimensional infrared spectroscopy. In: 18th International Conference on Ultrafast Phenomena, Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, Switzerland, 8 July 2013 - 13 July 2013, 05003.

Monograph

Hamm, P; Zanni, M T (2011). Concepts and methods of 2D infrared spectroscopy. New York. ISBN 978-1-1070-0005-6.

Marx, D; Hutter, J (2009). Ab initio molecular dynamics: basic theory and advanced methods. Cambridge. ISBN 978-0-521-89863-8.

Dissertation

Hahn, Konstanze. Computer simulations of chemical reactions on metal oxide surfaces. 2013, University of Zurich, Faculty of Science.

Schoenherr, Mandes. High Performance Tree Monte Carlo applied to solid and liquid water. 2013, University of Zurich, Faculty of Science.

Perakis, Foivos. Hydrogen bond dynamics of water below freezing point. 2013, University of Zurich, Faculty of Science.

Bloem, Robbert. Peptide folding and ligand binding studied with an improved 2D-IR spectrometer. 2013, University of Zurich, Faculty of Science.

Donten, Mateusz L. Time-resolved vibrational spectroscopy of pH-jumps in aqueous solutions and protonation induced a-helix formation. 2013, University of Zurich, Faculty of Science.

Winterflood, Christian Matthew. Supercritical Angle Fluorescence-Based Microscopy, Correlation Spectroscopy, and Biosensing. 2012, University of Zurich, Faculty of Science.

Ding, Yun. Investigation of molecule adsorption on h-BN nanomesh. 2012, University of Zurich, Faculty of Science.

Rehault, Julien. New developments in ultrafast polarization sensitive infrared spectroscopy. 2012, University of Zurich, Faculty of Science.

Schade, Marco. Ultrafast laser spectroscopy of vibrational energy transport in biomolecular chains. 2012, University of Zurich, Faculty of Science.

Schiffmann, F. An atomistic picture of the active interface in dye sensitized solar cells. 2010, University of Zurich, Faculty of Science.

Bonmarin, M. Development of Ultrafast Time-Resolved Chiral Infrared Spectroscopy. 2010, University of Zurich, Faculty of Science.

Guidon, M. High performance Hartree-Fock exchange for large and condensed phase systems. 2010, University of Zurich, Faculty of Science.

Bregy, H. Time-resolved infrared spectroscopy of photoswitchable thioxopeptides. 2009, University of Zurich, Faculty of Science.

Rabe, M. Understanding protein adsorption phenomena on solid surfaces. 2009, University of Zurich, Faculty of Science.

Cervetto, V. Femtosecond IR spectroscopy of photoswitchable peptides. 2008, University of Zurich, Faculty of Science.

Zimmermann, J H. Silicone nanofilaments as functional coatings : properties, applications and modifications. 2008, University of Zurich, Faculty of Science.

Botan, V. The infrared driven cis-trans isomerization reaction of nitrous acid (HONO) and energy transport in peptide helices. 2008, University of Zurich, Faculty of Science.

This list was generated on Wed Jun 25 21:56:54 2014 CEST.