The potential energy surface for the CH, +CH: reaction system has been calculated with the ab initio method. A stable complex, responsible for the complex mechanism, has been found but is hard to reach. Each of the two direct mechanisms, hydrogen transfer and proton transfer, has been shown to consi
An ab initio potential energy surface for the reaction CH4 → CH3 + H
✍ Scribed by David M. Hirst
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 356 KB
- Volume
- 122
- Category
- Article
- ISSN
- 0009-2614
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