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

doi:10.1063/1.1540981

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

Theoretical Chemistry

Research output: Contribution to Journal › Article › Academic › peer-review

227 Downloads (Pure)

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 language	English
Pages (from-to)	4190-4197
Journal	Journal of Chemical Physics
Volume	118
Issue number	9
DOIs	https://doi.org/10.1063/1.1540981
Publication status	Published - 2003

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1063/1.1540981

233044Final published version, 213 KB

Handle.net

Persistent link

Cite this

@article{cc83bc648825468290866c89435c9472,

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

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",

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

year = "2003",

doi = "10.1063/1.1540981",

language = "English",

volume = "118",

pages = "4190--4197",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "9",

}

TY - JOUR

T1 - Diffractive and reactive scattering of (v=0, j=0) HD from Pt(111): Six-dimensional quantum dynamics compared with experiment

AU - Kingma, S.M.

AU - Somers, M.F.

AU - Pijper, E.

AU - Kroes, G.

AU - Olsen, R.A.

AU - Baerends, E.J.

PY - 2003

Y1 - 2003

N2 - 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

AB - 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

U2 - 10.1063/1.1540981

DO - 10.1063/1.1540981

M3 - Article

SN - 0021-9606

VL - 118

SP - 4190

EP - 4197

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 9

ER -

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

Abstract

UN SDGs

Access to Document

Handle.net

Fingerprint

Cite this