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ChemInform Abstract: Selectivity in Proton Transfer, Hydrogen Bonding, and Solvation

โœ Scribed by Alessandro Bagno; Gianfranco Scorrano

Publisher
John Wiley and Sons
Year
2000
Weight
24 KB
Volume
31
Category
Article
ISSN
0931-7597

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## Abstract __We calculate energy barriers of atomโ€ and protonโ€transfer reactions in hydrogenโ€bonded complexes in the gas phase. Our calculations do not involve adjustable parameters and are based on bondโ€dissociation energies, ionization potentials, electron affinities, bond lengths, and vibration