Theoretical Studies of the Reaction of Hydroxyl Radical with Methyl Acetate
β Scribed by Yang, Lei; Liu, Jing-yao; Li, Ze-sheng
- Book ID
- 127337927
- Publisher
- American Chemical Society
- Year
- 2008
- Tongue
- English
- Weight
- 228 KB
- Volume
- 112
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
Ab initio molecular orbital theory and density functional theory calculations have been carried out on the reactions of the trifluoromethyl radical with the hydroxyl and the hydrogen radicals. These reactions are key reactions that underlie a new fire extinguishing mechanism of non-bromine-containin
The reaction of CH3 with OH has been studied near 1200 K and 1 atmosphere pressure in shock tube experiments in which UV absorption was used to monitor [OH]. A rate coefficient of (1.1 ? 0.3) x 1013 cm3/mol-s was measured for removal of OH by CH3. This measured value is compared with previous experi