## 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
A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction
✍ Scribed by George C. Schatz; Henry Elgersma
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 388 KB
- Volume
- 73
- Category
- Article
- ISSN
- 0009-2614
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An improved version of a recently reported semiclassical wavepacket approach is used to compute initial state selected total integral cross sections as well as thermal rate constants for the reaction OH+H2 ---\* H20+H. The method involves treating the diatomic vibrations as well as their relative tr
The rate constant for the reaction between OH and vibrationally excited H2, OH + H 2 (v = 1) ~ H20 + H, has been measured directly at 298 K. kol is found to be (7.5 -+ 3) X 10 -13 cma/molecule s, corresponding to a vibrational rate enhancement ofkol/koo = (1.2 -+ 0.4) X 102.