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Theoretical Study on the Gas Phase Reaction of Allyl Alcohol with Hydroxyl Radical

✍ Scribed by Zhang, Yunju; Chao, Kai; Sun, Jingyu; Su, Zhongmin; Pan, Xiumei; Zhang, Jingping; Wang, Rongshun

Book ID
121263773
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
678 KB
Volume
117
Category
Article
ISSN
1089-5639

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✍ Alex Mansergas; Javier GonzΓ‘lez; Manuel Ruiz-LΓ³pez; Josep M. Anglada πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier 🌐 English βš– 903 KB

The effect of water vapor on the reaction mechanism of carbonyl oxide with hydroxyl radical has been investigated by using theoretical methods. Our calculations predict that the addition of the HO radical to the carbon atom of H 2 COO is the most favorable reaction path, as also found for the reacti