The reactants, products, and saddle point for the reaction H, + CN 4 H + HCN have been studied by ab initio calculations. The computed structures, frequencies, and energetics are compared directly to available measurements and, indirectly, to experimental rate constants. The theoretical rate constan
Ab initio study of rate constants of the reaction: HCN + OH → CN + H2O
✍ Scribed by Chao Yang Wang; Shaowen Zhang; Qian Shu Li
- Book ID
- 105885519
- Publisher
- Springer
- Year
- 2002
- Tongue
- English
- Weight
- 163 KB
- Volume
- 108
- Category
- Article
- ISSN
- 1432-2234
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