## Abstract Quasi‐classical trajectory calculations have been performed on the H + O~2~ system. Significant reaction probabilities are obtained when the initial energy is in rotation or vibration, or a combination of the two, but not when the initial energy is in translation. The opacity function s
Classical trajectory calculations for the reaction N+ + H2 → NH+ + H
✍ Scribed by Martin A. Gittins; David M. Hirst
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 325 KB
- Volume
- 65
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Clxsical trajectory cahdations
zwe presented for the reaction N*+ II2 -MI++ II using a single potenthI surface. At Iow initkd rchtive encr+s q mmctric product distributions arc obtained and complex trajcctorres predommnte_ At hi.gher cnergics direct reaction gives forward peaking_
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Quasi-classical dynamic threshold energies have been determined for two important reactive transitions in the F + H2 &action by performins estensive three-dimensional trajectory calculations for the corresponding reverse reactions. It is 'found that the energetic and dlynamic thresholds for the reac
Preliminary results of ab initio unrcstiictcd Hnrtree-Fock calculations for the potential enerfiy surfact for the reaction N' + Hz + Nil+ + H ae reported. For the collinear approach of Nf to Hz, the 3 - x surface has no activation barrier and has a shallow well (n. 1 eV). For perpendicular approach