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Theoretical study on the gas phase reaction of propargyl alcohol with hydroxyl radical

✍ Scribed by Zhang, Yunju; Sun, Jingyu; Zhang, Wanqiao; Tang, Yizhen; Wang, Rongshun

Book ID
126206231
Publisher
John Wiley and Sons
Year
2014
Tongue
English
Weight
984 KB
Volume
35
Category
Article
ISSN
0192-8651

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The gas phase reaction of carbonyl oxide
The gas phase reaction of carbonyl oxide with hydroxyl radical in presence of water vapor. A theoretical study on the reaction mechanism
✍ 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