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Theoretical Studies of Structural Effects on the Mechanism of Acyl-Transfer Reactions 1

โœ Scribed by Lee, Ikchoon; Lee, Doyoung; Kim, Chang Kon


Book ID
127241135
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
341 KB
Volume
101
Category
Article
ISSN
1089-5639

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## 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)/6โ€311G(d, p)//B3LYP/6โ€31G(d, p) level in order to explore the possible reaction mechanism of the singlet CHCl with NO. Various possib