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Reaction Mechanism between Carbonyl Oxide and Hydroxyl Radical: A Theoretical Study

✍ Scribed by Mansergas, Alex; Anglada, Josep M.

Book ID
121324212
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
538 KB
Volume
110
Category
Article
ISSN
1089-5639

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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