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
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 = ɛ(r)E between the displacement vectors D and the electric field intensity E.
Keywordselectrostatics solvation energy smoothed dielectric permittivity
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