Publications with the keyword "dissociative chemisorption"

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R. Moiraghi, A. Lozano, E. Peterson, A. Utz, W. Dong, and H. Busnengo
Nonthermalized Precursor-Mediated Dissociative Chemisorption at High Catalysis Temperatures
Journal of Physical Chemistry Letters (cited By 2), 11(6), 2211-2218, 2020
activation energy atoms chemisorption geometry iridium compounds molecules surface defects surface measurement catalytic reactivity dissociative chemisorption geometry optimization quasi-classical-trajectory calculations reaction probability reactive trajectories transition state geometry vibrationally excited surface reactions
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A. Gutiérrez-González, M. Torio, H. Busnengo, and R. Beck
Site Selective Detection of Methane Dissociation on Stepped Pt Surfaces
Topics in Catalysis (cited By 2), 62(1216), 859-873, 2019
chemisorption dissociation infrared spectroscopy methane red shift density functionals dissociative chemisorption rairs reflection absorption infrared spectroscopy stepped pt surfaces sticking coefficients surface temperatures translational energy platinum
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M. Somers, R. Olsen, H. Busnengo, E. Baerends, and G. Kroes
Reactive scattering of H2 from Cu(100): Six-dimensional quantum dynamics results for reaction and scattering obtained with a new, accurately fitted potential-energy surface
Journal of Chemical Physics (cited By 24), 121(22), 11379-11387, 2004
approximation theory chemisorption copper dissociation gradient methods hydrogen potential energy probability density function dissociative chemisorption generalized gradient approximation (gga) potential energy surfaces (pes) quantum dynamics quantum theory
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