Ion pair potentials-of-mean-force in water

Comparison of simple potential functions for simulating liquid water

1983 • 37,746 citations

Reevaluation of the Born model of ion hydration

1985 • 569 citations

Alkali halides in water: Ion–solvent correlations and ion–ion potentials of mean force at infinite dilution

1986 • 534 citations

Macroscopic models of aqueous solutions: biological and chemical applications

1993 • 520 citations

The Free Energy of Hydration of Gaseous Ions, and the Absolute Potential of the Normal Calomel Electrode

1939 • 408 citations

Electrostatic interaction of a solute with a continuum. Improved description of the cavity and of the surface cavity bound charge distribution.

1987 • 355 citations

The electric potential of a macromolecule in a solvent: A fundamental approach

1991 • 279 citations

A site–site theory for finite concentration saline solutions

1992 • 276 citations

Density functional theory of nonuniform polyatomic systems. II. Rational closures for integral equations

1986 • 228 citations

Potential of mean force by constrained molecular dynamics: A sodium chloride ion-pair in water

1991 • 213 citations

A boundary element method for molecular electrostatics with electrolyte effects

1990 • 208 citations

A dielectrically consistent interaction site theory for solvent—electrolyte mixtures

1992 • 207 citations

Electrostatic contributions to solvation energies: comparison of free energy perturbation and continuum calculations

1991 • 192 citations

New and proper integral equations for site-site equilibrium correlations in molecular fluids

1982 • 179 citations

A simple method for the calculation of hydration enthalpies of polar molecules with arbitrary shapes

1987 • 175 citations

Gaussian fluctuation formula for electrostatic free-energy changes in solution

1991 • 168 citations

Hydration phenomena, classical electrostatics, and the boundary element method

1990 • 168 citations

Free energy calculations of ion hydration: an analysis of the Born model in terms of microscopic simulations

1989 • 154 citations

Interaction of monovalent ions with the water liquid–vapor interface: A molecular dynamics study

1991 • 127 citations

Interaction site models for molecular fluids

1982 • 120 citations

Contact potentials of solution interfaces: phase equilibrium and interfacial electric fields

1992 • 104 citations

Pair correlations in an NaCl-SPC water model

1992 • 104 citations

Dielectric constant in terms of atom–atom correlation functions

1976 • 99 citations

Computation of the electrostatic interaction energy between a protein and a charged surface

1992 • 99 citations

The Structure of Polar Molecular Liquids

1985 • 82 citations

Finite element approach to the electrostatics of macromolecules with arbitrary geometries

1993 • 70 citations

On the correlation between like ion pairs in water

1992 • 66 citations

Computer simulations do not support Cl-Cl pairing in aqueous NaCl solution

1994 • 64 citations

Electrostatics of ion-ion interactions in solution

1989 • 62 citations

Molecular-orbital theory of a solute in a continuum with an arbitrarily shaped boundary represented by finite surface elements

1992 • 50 citations

Computation of the water density distribution at the ice-water interface using the potentials-of-mean-force expansion

1994 • 46 citations

An extended RISM study of simple electrolytes: pair correlations in a NaCl-SPC water model

1992 • 40 citations

Structure and reactivity of ion hydration complexes in solution

1991 • 11 citations