… in the statistical mechanics of molecular liquids applied to the … The continuum model of"
solvation" has played a dominant … it completely with molecular theory taking proper account of …

… We present a molecular theory of the dynamical response … theory, both by simulation4-14
and by quasianalytical methods.3,IS-2S Our theory applies to rigid, nonpolarizable molecules …

… the 3D-RISM-KH molecular theory of solvation properly accounts for chemical functionalities
… -polar features of solvation, such as hydrogen bonding, structural solvent molecules, salt …

… We propose a closure to the integral equations of molecular theory of solvation, particularly
… (MSA) almost everywhere in the solvation shell but levels out the density distribution function …

… paper a molecular theory of the dynamics of solvated ions has been presented. Besides
providing a concrete picture of the mechanism of ionic motion, a theory starting from a molecular …

… based on a fully molecular solvent representation. We thus … molecular density functional
theory of solvation in reference to the molecular Ornstein-Zernike (MOZ) integral equation theory …

… present a molecular theory of solvation and solvation dynamics of a polar solute molecule
in … In section III, we present our theory and results for dynamics of solvation. Section IV …

… The solvation of a single molecule is the elementary process undelying all fluid chemical
equilibria. For example, the free energy of solvation dictates the equilibrium vapor pressure of a …

The integral equation theory (IET) of molecular liquids has been an active area of academic
research in theoretical and computational physical chemistry for over 40 years because it …

… molecular theory of solvation which, starting from a force field for explicit solvent molecules
… rather than individual molecules to yield the solvation structure and thermodynamics from the …