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Ab initio MP2 study of the reaction mechanisms of C2 with halogens and hydrohalides

✍ Scribed by Yuly A. Kolbanovskii; Yurii A. Borisov

Book ID
113798697
Publisher
Royal Society of Chemistry
Year
2011
Tongue
English
Weight
352 KB
Volume
21
Category
Article
ISSN
0959-9436

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The reaction of OH radicals with olefins is known to be important in atmospheric chemistry. From experimental data a global mechanism has been proposed, but the regioselectivity of the products is uncertain. In this work, the OH-propene-O 2 reaction has been studied with ab initio molecular orbital