| Electrolysis of water on oxide surfaces J Rossmeisl, ZW Qu, H Zhu, GJ Kroes, JK Nørskov Journal of Electroanalytical Chemistry 607 (1-2), 83-89, 2007 | 2976 | 2007 |
| Oxidation and Photo-Oxidation of Water on TiO2 Surface Á Valdés, ZW Qu, GJ Kroes, J Rossmeisl, JK Nørskov The Journal of Physical Chemistry C 112 (26), 9872-9879, 2008 | 727 | 2008 |
| Comparison of methods for finding saddle points without knowledge of the final states RA Olsen, GJ Kroes, G Henkelman, A Arnaldsson, H Jónsson The Journal of chemical physics 121 (20), 9776-9792, 2004 | 619 | 2004 |
| Chemically accurate simulation of a prototypical surface reaction: H2 dissociation on Cu (111) C Díaz, E Pijper, RA Olsen, HF Busnengo, DJ Auerbach, GJ Kroes Science 326 (5954), 832-834, 2009 | 402 | 2009 |
| Six-dimensional quantum dynamics of dissociative chemisorption of H2 on metal surfaces GJ Kroes Progress in surface science 60 (1-4), 1-85, 1999 | 355 | 1999 |
| Theoretical Study of the Electronic Structure and Stability of Titanium Dioxide Clusters (TiO2)n with n = 1−9 Z Qu, GJ Kroes The Journal of Physical Chemistry B 110 (18), 8998-9007, 2006 | 297 | 2006 |
| Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory A Valdes, J Brillet, M Grätzel, H Gudmundsdottir, HA Hansen, H Jonsson, ... Physical Chemistry Chemical Physics 14 (1), 49-70, 2012 | 255 | 2012 |
| Atomic and molecular hydrogen interacting with Pt (111) RA Olsen, GJ Kroes, EJ Baerends The Journal of Chemical Physics 111 (24), 11155-11163, 1999 | 238 | 1999 |
| Predicting catalysis: Understanding ammonia synthesis from first-principles calculations A Hellman, EJ Baerends, M Biczysko, T Bligaard, CH Christensen, ... The Journal of Physical Chemistry B 110 (36), 17719-17735, 2006 | 237 | 2006 |
| Reactive and nonreactive scattering of H2 from a metal surface is electronically adiabatic P Nieto, E Pijper, D Barredo, G Laurent, RA Olsen, EJ Baerends, ... Science 312 (5770), 86-89, 2006 | 234 | 2006 |
| Surface melting of the (0001) face of TIP4P ice GJ Kroes Surface Science 275 (3), 365-382, 1992 | 217 | 1992 |
| Molecular surface structure of ice (0001): dynamical low-energy electron diffraction, total-energy calculations and molecular dynamics simulations N Materer, U Starke, A Barbieri, MA Van Hove, GA Somorjai, GJ Kroes, ... Surface science 381 (2-3), 190-210, 1997 | 196 | 1997 |
| Quantum theory of dissociative chemisorption on metal surfaces GJ Kroes, A Gross, EJ Baerends, M Scheffler, DA McCormack Accounts of chemical research 35 (3), 193-200, 2002 | 187 | 2002 |
| Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: and RA Olsen, HF Busnengo, A Salin, MF Somers, GJ Kroes, EJ Baerends The Journal of chemical physics 116 (9), 3841-3855, 2002 | 187 | 2002 |
| Quantum and classical dynamics of reactive scattering of H 2 from metal surfaces GJ Kroes, C Díaz Chemical Society Reviews 45 (13), 3658-3700, 2016 | 173 | 2016 |
| Six-Dimensional Quantum Dynamics of Dissociative Chemisorption of ( , ) on Cu(100) GJ Kroes, EJ Baerends, RC Mowrey Physical review letters 78 (18), 3583, 1997 | 172 | 1997 |
| Sticking of hydrogen chloride and chlorine hydroxide to ice: a computational study GJ Kroes, DC Clary The Journal of Physical Chemistry 96 (17), 7079-7088, 1992 | 170 | 1992 |
| Accurate Neural Network Description of Surface Phonons in Reactive Gas–Surface Dynamics: N2 + Ru(0001) K Shakouri, J Behler, J Meyer, GJ Kroes The journal of physical chemistry letters 8 (10), 2131-2136, 2017 | 166 | 2017 |
| Molecular surface structure of a low-temperature ice Ih (0001) crystal N Materer, U Starke, A Barbieri, M Van Hove, GA Somorjai, GJ Kroes, ... The Journal of Physical Chemistry 99 (17), 6267-6269, 1995 | 162 | 1995 |
| An analytical six‐dimensional potential energy surface for dissociation of molecular hydrogen on Cu (100) G Wiesenekker, GJ Kroes, EJ Baerends The Journal of chemical physics 104 (18), 7344-7358, 1996 | 154 | 1996 |
Evert Jan BaerendsProfessor of Theoretical Chemistry, Vrije Universiteit, Amsterdam確認したメール アドレス: vu.nl
