✦ LIBER ✦

Calculation of rotationally mediated selective adsorption in molecule surface scattering: HD on Pt(111)

✍ Scribed by K.B. Whaley; J.C. Light; J.P. Cowin; S.J. Sibener

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 296 KB
Volume: 89
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(82)83349-6

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✦ Synopsis

Reccwed 4 l-cbruary 1982. in l-ma1 form 8 April 1982 Rotationally mediated selective adsorptron of HD on Pt(ll1) is e~mincd thcorclially usmg R-maw\ sc3ttcrtng tcchmques. With a htemlly averaged surface-molecule hlorse potential mtcmctlon and for an amsotropuz potential term transformed from Hz, cwellent a_erecmcnt IS obtamcd betwren the rcson;lnces and the iust-ordcr pcrturbcd bound \ ibntionfree rigid rotor energies.