… with the BC dynamics for the DS model. … solvation time correlation function for the DD
model and compare them with those of DS model according to the BC and FM theories…

… reference interaction site model with the Kovalenko-Hirata closure (3D-RISM-KH) molecular
solvation theory has proven to be an essential part of a multiscale modeling framework, …

… solvation effect is a fundamental tool in the theoretical study of chemical physics in solution.
Many solvation theories … proposed for investigation of chemical process in solvation phase. …

… The model employed in this book is the interaction-site model (ISM) which views the … ”-motion
of sites or atoms. The model lets us incorporate the RISM theory naturally into the …

… site model (3D-RISM) theory, a recently developed statistical–mechanical theory of molecular
solvation, … In this paper, we demonstrate that the 3D-RISM theory is able to reproduce the …

… theory and from the extended RISM XRISM theory, … site model and alcohols with different
parameter sets. The results clearly show that the free energy of solvation in the XRISM theory …

… solvation free energy, which is based upon the reference interaction site model RISM/hypernetted
chain HNC solvation free … Consequently, solvation free energy can be obtained from a …

… interaction site model (3D-RISM) integral equation theory … force (PMFs) and the solvation
structure of sodium chloride in … the dielectrically consistent site–site RISM/HNC theory (DRISM/…

… it is possible to get the solvation free energy predictions with accuracy of 1.5 kcal/mol. In a
response to our paper, Chong and Ham have shown that solvation free energy is an ensemble…

… Mostly we compare with MD results in the literature for given interaction site models, but
we also report some predictions of g'~(t) with regards to the influence of the shape, size, and …