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Mechanistic study on the reaction of the CH2ClO2 radical with NO

โœ Scribed by Lesar, Antonija

Book ID
123164702
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
917 KB
Volume
579
Category
Article
ISSN
0009-2614

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## Abstract The radicalโ€molecule reaction mechanism of CHCl~2~ and CCl~3~ with NO~2~ have been explored theoretically at the B3LYP/6โ€311G(d,p) and MCโ€QCISD (singleโ€point) levels. For the singlet potential energy surface (PES) of CHCl~2~ + NO~2~ reaction, the association of CHCl~2~ with NO~2~ was fo