Maintenance Infos

Browse by Creators

Navigate back| Up a level
Export as
Number of items: 28.

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.

Vuilleumier, Rodolphe; Seitsonen, Ari P; Sator, Nicolas; Guillot, Bertrand (2015). Carbon dioxide in silicate melts at upper mantle conditions: Insights from atomistic simulations. Chemical Geology, 418:77-88.

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.

Schulz, Fabian; Ijäs, Mari; Drost, Robert; Hämäläinen, Sampsa K; Harju, Ari; Seitsonen, Ari P; Liljeroth, Peter (2015). Many-body transitions in a single molecule visualized by scanning tunnelling microscopy. Nature Physics, 11(3):229-234.

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.

Bryk, Taras; Klevets, Ivan; Ruocco, Giancarlo; Scopigno, Tullio; Seitsonen, Ari P (2014). Charge-density correlations in pressurized liquid lithium calculated using ab initio molecular dynamics. Physical Review B, 90(1):014202.

Dienel, Thomas; Gomez-Diaz, Jaime; Seitsonen, Ari P; Widmer, Roland; Iannuzzi, Marcella; Radican, Kevin; Sachdev, Hermann; Muellen, Klaus; Hutter, Juerg; Groening, Oliver (2014). Dehalogenation and coupling of a polycyclic hydrocarbon on an atomically thin insulator. ACS Nano, 8(7):6571-6579.

Schulz, Fabian; Drost, Robert; Hamalainen, Sampsa K; Demonchaux, Thomas; Seitsonen, Ari P; Liljeroth, Peter (2014). Epitaxial hexagonal boron nitride on Ir(111): A work function template. Physical Review B, 89(23):235429.

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.

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.

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.

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.

Greif, M; Castiglioni, L; Seitsonen, Ari P; Roth, S; Osterwalder, J; Hengsberger, M (2013). Photoelectron diffraction in the x-ray and ultraviolet regime: Sn-phthalocyanine on Ag(111). Physical Review B, 87(8):085429.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

This list was generated on Fri Apr 19 02:23:46 2019 CEST.