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Ab Initio Quantum Chemical Studies of the Formaldiminoxy (CH 2 NO) Radical: 1. Isomerization Reactions

✍ Scribed by Shapley, Warwick A.; Bacskay, George B.

Book ID
126288722
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
141 KB
Volume
103
Category
Article
ISSN
1089-5639

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## Abstract The stationary points involved in the CH~3~SO + NO~2~ radical‐radical reaction were examined at the B3LYP/6‐311++G(2df,2pd) and CCSD/cc‐pVDZ levels of theory. Singlet potential energy surface was calculated using the CCSD(T)/aug‐cc‐pVTZ//CCSD/CC‐pVDZ single‐point calculations and the CB