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An empirical valence bond model for proton transfer in water.
- Source :
-
Journal of Chemical Physics . 2/1/1998, Vol. 108 Issue 5, p2073. 11p. 3 Charts, 13 Graphs. - Publication Year :
- 1998
-
Abstract
- Examines the empirical valence model for proton transfer in aqueous solutions. Properties of the gas-phase H5O2+ complex; Use of gradient-corrected density functional theory in the study; Simulations of the solvated hydronium.
- Subjects :
- *PROTON transfer reactions
*SOLUTION (Chemistry)
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 108
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 4132720
- Full Text :
- https://doi.org/10.1063/1.475586