Dissociative chemisorption of methane on metal surfaces: tests of dynamical assumptions using quantum models and ab initio molecular dynamics.
about
First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111).Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivity.HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional.The dissociative chemisorption of CO2 on Ni(100): A quantum dynamics study.Methane dissociation on Pt(111): Searching for a specific reaction parameter density functional.Rotational and steric effects in water dissociative chemisorption on Ni(111).First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects.Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface.The dissociation and recombination rates of CH4 through the Ni(111) surface: The effect of lattice motion.Methane dissociation on Ni(111): A seven-dimensional to nine-dimensional quantum dynamics study.Methane dissociation on the steps and terraces of Pt(211) resolved by quantum state and impact site.Water dissociation on Ni(100), Ni(110), and Ni(111) surfaces: Reaction path approach to mode selectivity.Quantum-state-resolved reactivity of overtone excited CH4 on Ni(111): Comparing experiment and theory.Electron-hole pair effects in methane dissociative chemisorption on Ni(111).Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site.Site-specific dissociation dynamics of H2/D2 on Ag(111) and Co(0001) and the validity of the site-averaging model.Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics study.Rotational effects on the dissociation dynamics of CHD3 on Pt(111).Communication: Enhanced dissociative chemisorption of CO2 via vibrational excitation.An approximate full-dimensional quantum dynamics study of the mode specificity in the dissociative chemisorption of D2O on rigid Cu(111).A seven-dimensional quantum dynamics study of the dissociative chemisorption of H2O on Cu(111): effects of azimuthal angles and azimuthal angle-averaging.
P2860
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P2860
Dissociative chemisorption of methane on metal surfaces: tests of dynamical assumptions using quantum models and ab initio molecular dynamics.
description
2014 nî lūn-bûn
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2014年の論文
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name
Dissociative chemisorption of ...... ab initio molecular dynamics.
@en
Dissociative chemisorption of ...... ab initio molecular dynamics.
@nl
type
label
Dissociative chemisorption of ...... ab initio molecular dynamics.
@en
Dissociative chemisorption of ...... ab initio molecular dynamics.
@nl
prefLabel
Dissociative chemisorption of ...... ab initio molecular dynamics.
@en
Dissociative chemisorption of ...... ab initio molecular dynamics.
@nl
P2093
P2860
P356
P1476
Dissociative chemisorption of ...... ab initio molecular dynamics.
@en
P2093
Bret Jackson
Francesco Nattino
Geert-Jan Kroes
P2860
P304
P356
10.1063/1.4891327
P407
P577
2014-08-01T00:00:00Z