✦ LIBER ✦

A new H3 potential energy surface and its implications for chemical reaction

✍ Scribed by Albert C. Yates; William A. Lester Jr

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 540 KB
Volume: 24
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)85265-6

No coin nor oath required. For personal study only.

✦ Synopsis

A new H3 potential energy hypersurface for arbitrary nuclear arrangements is generated fmm Liu's very accurate (eO.3 kcai/mole error) collinear ab initio calculation and compared with other general geometry surfaces. Preliminary classical trajectory calculations on the new hypersurface are presented and compared with results on the Porter-l&plus surface. * The basic trajectory routine was that written by Muekemmn [30]. see also ref. [3&l,

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