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
An ab initio and density functional theory study on the mechanism for the reaction of OH with 2-ethylfuran
β Scribed by Weichao Zhang; Changjun Feng; Benni Du; Lailong Mu
- Publisher
- Springer
- Year
- 2008
- Tongue
- English
- Weight
- 382 KB
- Volume
- 20
- Category
- Article
- ISSN
- 1040-0400
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