The role of electrostatics in solute-solvent interactions with the continuum (original) (raw)

Abstract

of the role of electrostatic contributions in solute-solvent interactions as described by the continuous model of the solvent is systematically performed on a few solutes with rotational degrees of freedom whose preferential stabilization upon solvation has already been considered with various methods, ranging from free energy perturbation methods to the continuous solvent at several levels of approximation.

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