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Catalytic Action of a Single Water Molecule in a Proton-Migration Reaction

✍ Scribed by Yoshiyuki Matsuda; Ayako Yamada; Ken-ichi Hanaue; Naohiko Mikami; Asuka Fujii

Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
585 KB
Volume
122
Category
Article
ISSN
0044-8249

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πŸ“œ SIMILAR VOLUMES

Different Catalytic Effects of a Single
Different Catalytic Effects of a Single Water Molecule: The Gas-Phase Reaction of Formic Acid with Hydroxyl Radical in Water Vapor
✍ Josep M. Anglada; Javier Gonzalez πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 762 KB

## Abstract __The effect of a single water molecule on the reaction mechanism of the gas‐phase reaction between formic acid and the hydroxyl radical was investigated with high‐level quantum mechanical calculations using DFT–B3LYP, MP2 and CCSD(T) theoretical approaches in concert with the 6‐311+G(2