## Abstract The complex doublet potential energy surface for the reaction of ^1^CHF with NO~2~, including 14 minimum isomers and 30 transition states, is explored theoretically at the B3LYP/6‐311G(d,p) and CCSD(T)/6‐311G(d,p) (single‐point) levels of theory. The initial association between ^1^CHF a
Theoretical Mechanistic Study on the Radical−Radical Reaction of Ketenyl with Nitrogen Dioxide
✍ Scribed by Zhang, Jia-xu; Li, Ze-sheng; Liu, Jing-yao; Sun, Chia-Chung
- Book ID
- 121081773
- Publisher
- American Chemical Society
- Year
- 2006
- Tongue
- English
- Weight
- 180 KB
- Volume
- 110
- Category
- Article
- ISSN
- 1089-5639
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## Abstract The singlet potential energy surface of the [CFNO~2~] system is investigated at the B3LYP and CCSD(T) (single‐point) levels to explore the possible reaction mechanism of CF radical with NO~2~. The top attack of C‐atom of CF radical at the N‐atom of NO~2~ molecule first forms the adduct
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