The potential energy surface for the decomposition of CH3OCl
β Scribed by Tian-Jing He; Dong-Ming Chen; Fan-Chen Liu; Liu-Si Sheng
- Book ID
- 108312147
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 264 KB
- Volume
- 332
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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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