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The Journal of Physical Chemistry Letters|January 2, 2016
Toward a Database of Chemically Accurate Barrier Heights for Reactions of Molecules with Metal SurfacesGeert-Jan KroesPhysical Chemistry Chemical Physics : PCCP|October 6, 2012
Towards chemically accurate simulation of molecule-surface reactionsGeert-Jan KroesPhysical Chemistry Chemical Physics : PCCP|April 22, 2021
Computational approaches to dissociative chemisorption on metals: towards chemical accuracyGeert-Jan KroesChemical Science|December 6, 2024
Best-of-both-worlds computational approaches to difficult-to-model dissociation reactions on metal surfacesGeert-Jan Kroes, Jörg MeyerPhysical Chemistry Chemical Physics : PCCP|December 18, 2010
Translation-rotation energy levels of one H2 molecule inside the small, medium and large cages of the structure H clathrate hydrateÁlvaro Valdés, Geert-Jan KroesThe Journal of Chemical Physics|January 17, 2019
An AIMD study of dissociative chemisorption of methanol on Cu(111) with implications for formaldehyde formationNick Gerrits, Geert-Jan KroesChemical Society Reviews|August 4, 2015
Quantum and classical dynamics of reactive scattering of H2 from metal surfacesGeert-Jan Kroes, Cristina DíazPhysical Chemistry Chemical Physics : PCCP|June 29, 2011
A new method for screening potential sII and sH hydrogen clathrate hydrate promoters with model potentialsTerry J Frankcombe, Geert-Jan KroesThe Journal of Physical Chemistry. B|November 17, 2006
Theoretical study of adsorption of O((3)P) and H(2)O on the rutile TiO(2)(110) surfaceZheng-Wang Qu, Geert-Jan KroesPageof 8