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G.J. Kroes
G.J. Kroes
Professor of Theoretical Chemistry, Leiden University
Bestätigte E-Mail-Adresse bei chem.leidenuniv.nl - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
29762007
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
7272008
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
6192004
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
4022009
Six-dimensional quantum dynamics of dissociative chemisorption of H2 on metal surfaces
GJ Kroes
Progress in surface science 60 (1-4), 1-85, 1999
3551999
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
2972006
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
2552012
Atomic and molecular hydrogen interacting with Pt (111)
RA Olsen, GJ Kroes, EJ Baerends
The Journal of Chemical Physics 111 (24), 11155-11163, 1999
2381999
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
2372006
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
2342006
Surface melting of the (0001) face of TIP4P ice
GJ Kroes
Surface Science 275 (3), 365-382, 1992
2171992
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
1961997
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
1872002
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
1872002
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
1732016
Six-Dimensional Quantum Dynamics of Dissociative Chemisorption of ( , ) on Cu(100)
GJ Kroes, EJ Baerends, RC Mowrey
Physical review letters 78 (18), 3583, 1997
1721997
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
1701992
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
1662017
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
1621995
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
1541996
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