Theoretical study of reaction mechanism for Se
β Scribed by Moein Goodarzi; Morteza Vahedpour; Fariba Nazari
- Publisher
- Springer
- Year
- 2010
- Tongue
- English
- Weight
- 394 KB
- Volume
- 21
- Category
- Article
- ISSN
- 1040-0400
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π SIMILAR VOLUMES
## Abstract The complex doublet potential energy surface of the CHClNO system, including 31 minimum isomers and 84 transition states, is investigated at the QCISD(T)/6β311G(d, p)//B3LYP/6β31G(d, p) level in order to explore the possible reaction mechanism of the singlet CHCl with NO. Various possib
## Abstract The complex doublet potential energy surface of the CH~2~NO~2~ system is investigated at the B3LYP/6β31G(d,p) and QCISD(T)/6β311G(d,p) (singleβpoint) levels to explore the possible reaction mechanism of the triplet CH~2~ radical with NO~2~. Forty minimum isomers and 92 transition states