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Theoretical studies on O(3P)+CH2Cl reaction mechanism

✍ Scribed by Zhengyu Zhou; Li Guo; Chengxue Li; Hongwei Gao


Book ID
114141793
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
151 KB
Volume
579
Category
Article
ISSN
0166-1280

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## Abstract The complex doublet potential energy surface of the CH~2~NO~2~ system is investigated at the B3LYP/6‐31G(d,p) and QCISD(T)/6‐311G(d,p) (single‐point) levels to explore the possible reaction mechanism of the triplet CH~2~ radical with NO~2~. Forty minimum isomers and 92 transition states