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The Journal of Chemical Physics|December 15, 2020
Quantum Monte Carlo calculations on dissociative chemisorption of H2 + Al(110): Minimum barrier heights and their comparison to DFT valuesAndrew D Powell, Geert-Jan Kroes, Katharina Doblhoff-Dier
The Journal of Physical Chemistry Letters|April 27, 2017
Accurate Neural Network Description of Surface Phonons in Reactive Gas-Surface Dynamics: N2 + Ru(0001)Khosrow Shakouri, Jörg Behler, Jörg Meyer, et al.
The Journal of Chemical Physics|October 27, 2016
Dynamics of H2 dissociation on the close-packed (111) surface of the noblest metal: H2 + Au(111)Mark Wijzenbroek, Darcey Helstone, Jörg Meyer, et al.
The Journal of Physical Chemistry Letters|March 30, 2019
Accurate Probabilities for Highly Activated Reaction of Polyatomic Molecules on Surfaces Using a High-Dimensional Neural Network Potential: CHD3 + Cu(111)N Gerrits, Khosrow Shakouri, Jörg Behler, et al.
Faraday Discussions|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 approachRobert A B van Bree, Nick Gerrits, Geert-Jan Kroes
Physical Chemistry Chemical Physics : PCCP|February 1, 2011
Hydrogen dissociation on Cu(111): the influence of lattice motion. Part IMatteo Bonfanti, Cristina Díaz, Mark F Somers, et al.
The Journal of Chemical Physics|July 23, 2004
Efficient penetration of the basal plane (0001) face of ice Ih by HF at Ts=150 K: dependence on incidence energy, incidence angle, and rotational energyDevon O Niel Gardner, Ayman Al-Halabi, Geert-Jan Kroes
The Journal of Chemical Physics|January 3, 2019
HOD on Ni(111): Ab Initio molecular dynamics prediction of molecular beam experimentsDavide Migliorini, Francesco Nattino, Ashwani K Tiwari, et al.
The Journal of Chemical Physics|July 11, 2006
Rotational transitions and diffraction in D2 scattering from the LiF(001) surface: theory and experimentRosendo Valero, Geert-Jan Kroes, Yasin Ekinci, et al.
Physical Chemistry Chemical Physics : PCCP|June 10, 2010
Towards an understanding of the vibrational mode specificity for dissociative chemisorption of CH(4) on Ni(111): a 15 dimensional studyKrishnamohan G Prasanna, Roar A Olsen, Alvaro Valdés, et al.
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