Exact quantum mechanical transition probabilities have been calculated for the collinear reaction H f Fzfu = 0) + HF(u' < 11) + F by the state path sum method\_ The "best" extended LEPS surface of Jonathan et al. has been used. The results are in good agreemeat with experimental results and threedim
Exact quantum mechanical reaction probabilities for the collinear H + H2 reaction on a porter-karplus potential energy surface
โ Scribed by James W. Duff; Donald G. Truhlar
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 295 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0009-2614
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๐ SIMILAR VOLUMES
The classical (CSC), prirnitive (PSC), md uniform (USC) semi-Jassical expressions for reactive transition probabilities of Miller and co-workers have been used to obtain reaction probabilities for the collinear H + Hz exchange reaction. Comparisons with exact quantum results for the 0 4 0 transition
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u= I,2 and 3) reported by Neumark et al. (