Geert-Jan Kroes
21PUBLICATIONS
38CO-AUTHORS
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Publications (21)
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|Dec 06, 2024
Best-of-both-worlds computational approaches to difficult-to-model dissociation reactions on metal surfaces.Geert-Jan Kroes, Jörg Meyer
|May 24, 2024
Dissociative chemisorption of O2 on Al(111): dynamics on a potential energy surface computed with a non-self-consistent screened hybrid density functional approach.Robert A B van Bree, Nick Gerrits, Geert-Jan Kroes
|Jan 03, 2024
Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals.Andrew D Powell, Nick Gerrits, Theophile Tchakoua
|Dec 05, 2023
Constructing Mixed Density Functionals for Describing Dissociative Chemisorption on Metal Surfaces: Basic Principles.Théophile Tchakoua, Tim Jansen, Youri van Nies
|Mar 31, 2023
Simulating Highly Activated Sticking of H2 on Al(110): Quantum versus Quasi-Classical Dynamics.Theophile Tchakoua, Andrew D Powell, Nick Gerrits
|Dec 19, 2022
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces.T Tchakoua, N Gerrits, E W F Smeets
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Frequent Collaborators
10 joint publications
Nick Gerrits
5 joint publications
Jörg Meyer
5 joint publications
Katharina Doblhoff-Dier
4 joint publications
Theophile Tchakoua
4 joint publications
Egidius W F Smeets
3 joint publications
Khosrow Shakouri
3 joint publications
Jörg Behler
3 joint publications
Rainer D Beck
2 joint publications
Arthur L Utz
2 joint publications
Bret Jackson
