## 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
Theoretical study on the reaction mechanism of CH2SH
β Scribed by Yi-Zhen Tang; Ya-Ru Pan; Bing He; Jing-Yu Sun; Xiu-Juan Jia; Hao Sun; Rong-Shun Wang
- Publisher
- Springer
- Year
- 2008
- Tongue
- English
- Weight
- 488 KB
- Volume
- 122
- Category
- Article
- ISSN
- 1432-2234
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