Back to Search Start Over

An empirical valence bond model for proton transfer in water.

Authors :
Sagnella, Diane E.
Tuckerman, Mark E.
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.

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