Incorporation of reaction field effects into density functional calculations for molecules of arbitrary shape in solution (original) (raw)
Solvation Free Energy Calculations Using a Continuum Dielectric Model for the Solvent and Gradient-Corrected Density Functional Theory for the Solute
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Dispersion and repulsion contributions to the solvation energy: Refinements to a simple computational model in the continuum approximation
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Application of the Linearized MD Approach for Computing Equilibrium Solvation Free Energies of Charged and Dipolar Solutes in Polar Solvents
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