## Abstract The reaction of H radical with C~2~H~5~CN has been studied using various quantum chemistry methods. The geometries were optimized at the B3LYP/6β311+G(d,p) and B3LYP/6β311++G(2d,2p) levels. The singleβpoint energies were calculated using G3 and BMCβCCSD methods based on B3LYP/6β311++G(2
Theoretical study of the reaction of CN with C2H2+
β Scribed by P. Redondo; M. J. Ruiz; R. Boronat; C. Barrientos; A. Largo
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 105 KB
- Volume
- 104
- Category
- Article
- ISSN
- 1432-2234
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