Continuous dielectric permittivity II: An Iterative Method for Calculating the Polar Component of the Molecular Solvation Gibbs Energy Under a Smooth Change in the Dielectric Permittivity of a Solution

Details Continuous dielectric permittivity II: An Iterative Method for Calculating the Polar Component of the Molecular Solvation Gibbs Energy Under a Smooth Change in the Dielectric Permittivity of a Solution Continuous dielectric permittivity II: An Iterative Method for Calculating the Polar Component of the Molecular Solvation Gibbs Energy Under a Smooth Change in the Dielectric Permittivity of a Solution

2011-07-08

arxiv.org/abs/1107.1652v3

Russian Journal of Physical Chemistry B, 2011, Vol. 5, No. 6, pp. 1038--1044;Original Russian Text: F.V. Grigoriev, O.Yu. Kupe

Physics

Chemical Physics

36 pages,3 Figures, in English and in Russian

Scientific paper

10.1134/S1990793111060224

An iterative method for calculating the polar component of the solvation Gibbs energy under a smooth change in dielectric permittivity, both between a substrate and a solvent and in a solvent is formulated on the basis of a previously developed model. The method is developed in the approximation of the local relationship D = \eps (r) E between the displacement vectors D and the electric field intensity E.

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