[Advanced models based on the integral equation theory of molecular liquids for calculating the hydration of ions].

An advanced model based on the integral equation theory of molecular liquids has been developed. The model is a modification of the RISM/HNC method in which the solvent electrostatic potential is approximated by a linear dependence on the solute charge, while the solvent response of the solute is calculated by introducing the empirical repulsive bridge… CONTINUE READING