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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

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.

preprint2011arXivOpen access
F. V. GrigorievOleg KupervasserI. P. Kikot'
physics.chem-ph
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Open access3 authors1 topic
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F. V. GrigorievOleg KupervasserI. P. Kikot'

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