Potential energy surface and reaction me
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Kenshu Kamiya; Keiji Morokuma
📂
Article
📅
1986
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Elsevier Science
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English
⚖ 571 KB
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