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Interaction of Peroxyformic Acid with Water Molecules: A First-Principles Study

โœ Scribed by Kulkarni, Anant D.; Rai, Dhurba; Bartolotti, Libero J.; Pathak, Rajeev K.

Book ID
126285670
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
387 KB
Volume
110
Category
Article
ISSN
1089-5639

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โœ Shinichi Yamabe; Noriko Tsuchida ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 509 KB

Density functional theory calculations were performed for the title reactions to elucidate the difference between the strong cyclic hydrogen bond of (Me-COOH)(2) and the electrolytic dissociation, MeCOOH <==> Me-COO(-) + H(+), as a weak acid. The association of water clusters with acetic acid dimers