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Theoretical study on mechanism for O3-initiated atmospheric oxidation reaction of β-caryophyllene

✍ Scribed by Yan Zhao; Ruixue Zhang; Xiaomin Sun; Maoxia He; Hui Wang; Qingzhu Zhang; Miaoyan Ru

Book ID
108286063
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
999 KB
Volume
947
Category
Article
ISSN
0166-1280

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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 CAM‐B3LYP and wB97XD, CBS‐QB3, and G3 theoretical methods and the transition state theory. The reactions o