Geert-Jan Kroes
8PUBLICATIONS
6CO-AUTHORS
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Publications (8)
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|Dec 15, 2020
Quantum Monte Carlo calculations on dissociative chemisorption of H<sub>2</sub> + Al(110): Minimum barrier heights and their comparison to DFT values.Andrew D Powell, Geert-Jan Kroes, Katharina Doblhoff-Dier
|Apr 01, 2019
Transferability of the SRP32-vdW specific reaction parameter functional to CHD<sub>3</sub> dissociation on Pt(110)-(2 × 1).Helen Chadwick, Ana Gutiérrez-González, Rainer D Beck
|Jan 17, 2019
An AIMD study of dissociative chemisorption of methanol on Cu(111) with implications for formaldehyde formation.Nick Gerrits, Geert-Jan Kroes
|Jan 03, 2019
HOD on Ni(111): <i>Ab Initio</i> molecular dynamics prediction of molecular beam experiments.Davide Migliorini, Francesco Nattino, Ashwani K Tiwari
|Dec 17, 2018
Dissociation of CHD<sub>3</sub> on Cu(111), Cu(211), and single atom alloys of Cu(111).Nick Gerrits, Davide Migliorini, Geert-Jan Kroes
|Sep 10, 2018
Methane on a stepped surface: Dynamical insights on the dissociation of CHD<sub>3</sub> on Pt(111) and Pt(211).Davide Migliorini, Helen Chadwick, Geert-Jan Kroes
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