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Theoretical Study on the Kinetics and Mechanism for the Reaction of FCO with NO †

✍ Scribed by Xu, Kun; Xu, Zhen-Feng; Lin, M. C.

Book ID
127117626
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
141 KB
Volume
110
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)/6‐311G(d, p)//B3LYP/6‐31G(d, p) level in order to explore the possible reaction mechanism of the singlet CHCl with NO. Various possib