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Theoretical Studies of Hydrogen Abstraction from 2-Propanol by OH Radical

✍ Scribed by Luo, Ning; Kombo, David C.; Osman, Roman

Book ID
126216004
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
520 KB
Volume
101
Category
Article
ISSN
1089-5639

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## Abstract Kinetics and mechanism of the hydrogen abstraction reaction between trifluoromethyl formate, CF~3~OCHO, and OH radical have been investigated by using ab initio molecular orbital theory up to G2(MP2) level. The hydrogen abstraction rate constant has been calculated for the first time ov