Diffractive and reactive scattering of (v=0, j=0) HD from Pt(111): Six-dimensional quantum dynamics compared with experiment

S.M. Kingma, M.F. Somers, E. Pijper, G. Kroes, R.A. Olsen, E.J. Baerends

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Abstract

6D quantum dynamics calculations on the dissociative adsorption of HD on, and the rotationally inelastic and diffractive scattering of HD from Pt(111) at off-normal incidence were performed. The main goal of the calculations was to determine whether the computed ratio of G=O to G≠0 in-plane scattering would be higher for HD + Pt(111) than for H
Original languageEnglish
Pages (from-to)4190-4197
JournalJournal of Chemical Physics
Volume118
Issue number9
DOIs
Publication statusPublished - 2003

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