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The Journal of Physical Chemistry. B|May 5, 2006
Theoretical study of the electronic structure and stability of titanium dioxide clusters (TiO2)n with n = 1-9Zheng-Wang Qu, Geert-Jan KroesThe Journal of Chemical Physics|December 17, 2018
Dissociation of CHD3 on Cu(111), Cu(211), and single atom alloys of Cu(111)Nick Gerrits, Davide Migliorini, Geert-Jan KroesThe Journal of Chemical Physics|September 10, 2018
Methane on a stepped surface: Dynamical insights on the dissociation of CHD3 on Pt(111) and Pt(211)Davide Migliorini, Helen Chadwick, Geert-Jan KroesThe Journal of Chemical Physics|March 16, 2015
N2 dissociation on W(110): An ab initio molecular dynamics study on the effect of phononsFrancesco Nattino, Francesca Costanzo, Geert-Jan KroesThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|June 4, 2021
Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H2 + Cu(111), D2 + Ag(111), H2 + Au(111), and D2 + Pt(111)Egidius W F Smeets, Geert-Jan KroesThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|October 12, 2019
Dynamical Study of the Dissociative Chemisorption of CHD3 on Pd(111)Nick Gerrits, Helen Chadwick, Geert-Jan KroesPhysical Chemistry Chemical Physics : PCCP|December 8, 2020
Designing new SRP density functionals including non-local vdW-DF2 correlation for H2 + Cu(111) and their transferability to H2 + Ag(111), Au(111) and Pt(111)Egidius W F Smeets, Geert-Jan KroesThe Journal of Chemical Physics|August 10, 2014
Dissociative chemisorption of methane on metal surfaces: tests of dynamical assumptions using quantum models and ab initio molecular dynamicsBret Jackson, Francesco Nattino, Geert-Jan KroesThe Journal of Chemical Physics|March 3, 2016
Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systemsDavide Migliorini, Francesco Nattino, Geert-Jan KroesThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|July 22, 2017
Vibrational Excitation of H2 Scattering from Cu(111): Effects of Surface Temperature and of Allowing Energy Exchange with the SurfaceGeert-Jan Kroes, J I Juaristi, M AlducinPageof 8