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Free energy of hydration of a molecular ionic state: Tetramethylammonium ion.

Authors :
Garde, Shekhar
Hummer, Gerhard
Source :
Journal of Chemical Physics. 1/22/1998, Vol. 108 Issue 4, p1552. 10p. 4 Charts, 4 Graphs.
Publication Year :
1998

Abstract

Performs Monte Carlo simulations of the tetramethylammonium ion hydrated by simple charge water molecules. Relation of the derivatives of the free energy with the fluctuations in the ion-water interaction energies; Dependence of the calculated hydration free energies on system size and the method used in calculating electrostatic interactions.

Details

Language :
English
ISSN :
00219606
Volume :
108
Issue :
4
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4132878
Full Text :
https://doi.org/10.1063/1.475526