Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.9K citations

Natural Sciences, Chemistry, Computational Chemistry +16

Electric Moments of Molecules in Liquids

Lars Onsager · Journal of the American Chemical Society · 1936 · 5.3K citations

Natural Sciences, Chemistry, Electrochemistry +8

Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to Zwitterions

John G. Kirkwood · The Journal of Chemical Physics · 1934 · 1.5K citations

Natural Sciences, Chemistry, Computational Chemistry +16

Self-consistent reaction field theory of solvent effects

O. Tapia, Osvaldo Goscinski · Molecular Physics · 1975 · 541 citations

Natural Sciences, Chemistry, Physics +16

A quantum chemical approach to dielectric solvent effects in molecular liquids

Jean‐Louis Rivail, Daniel Rinaldi · Chemical Physics · 1976 · 356 citations

Natural Sciences, Chemistry, Physics +16