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Theoretical study of the initial products of the atmospheric oxidation of hydrocarbons

โœ Scribed by Calvert, Jack G.; Madronich, Sasha

Book ID
119720869
Publisher
American Geophysical Union
Year
1987
Tongue
English
Weight
904 KB
Volume
92
Category
Article
ISSN
0148-0227

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## Abstract The initial reactions of HO~2~ with oxalyl dichloride, oxalyl dibromide, acetyl chloride, and acetyl bromide are studied for the first time using the density functional theory with CAMโ€B3LYP and wB97XD, CBSโ€QB3, and G3 theoretical methods and the transition state theory. The reactions o