Where G solvent and G vacuum are the Gibbs free energies of the system in solvent and vacuum, respectively. R ′ and R are the relaxed atomic positions for the solvated system and vacuum one. For RISM models the total solvation energy can be further decomposed between two contributions, the excess chemical potential of solvation µ ex , and the residual contribution G res . The latter coming from changes either in the geometry or in the electronic structure due to solvation.