Quantum mechanical computational studies of chemical reactions : II. Isotopic exchange reactions for the collinear H+H 2 system
โ Scribed by Wu, Shiou-Fu; Johnson, B.R.; Levine, R.D.
- Book ID
- 120205115
- Publisher
- Taylor and Francis Group
- Year
- 1973
- Tongue
- English
- Weight
- 932 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0026-8976
No coin nor oath required. For personal study only.
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An ink& equation ieection path techtique hzs been used to calculate, within. the collkc~ app;oximaSon, rcnc:Ion piOb2bilitieSfOi the reStion He + Hz\* HC& r H over the ener\_g rans 0.95 G E Q 1.19 eV. Tkis rextion diffsis from those that have been studied previously v~ithin the coPib.ezr zpprotiiati
Exact quantum mechanical results for callincar Hr + Hi -21 + HeH+reac:ive collisions arc prescnled Ior rhe (total) energy range of 0.93 CV to I .4 eV. The Hz initial vibrational states include u = 0 through u = 5. The diaromicsin-molecules semi-empirical surface of Kuntz is used in the compurntions.