… use to study ion solvation: The MB + dipole model includes a dipole moment on each water
… The dipole is negative at the center of the water disk and positive at a point approximately 60…

… of the solvation parameters for monatomic ions in water on the … (abs) with ion size is examined
using a model for ion solvation … with respect to structural studies of ion solvation in water. …

… its effects on the structure of water. These quantities can all be … models of the solvated ion
and of tlie solvation process. The … choice practically to water, ie, the hydration of the ions. The …

… ionic solutes, and (3) aqueous solvation data for various ion−water clusters and the water …
-ion data for cases where continuum solvent models are expected to be inadequate for bare …

… molecular solvation theory and topological analysis that predicts cation and water site binding
to nucleic acids. 3D-RISM is shown to accurately capture alkali cations and water binding …

… solvation. A quite different theory of ionic solvation from the general electrostatic theory of …
be explained if it is assumed that the sodium chloride is preferentially solvated with water. …

… Is there a corresponding effect on the structure and dynamics of the ionwater solvation
complex? Can we understand the different aspects of the interfacial solvation using a simple …

… structure, we have computed the solvation free-energy of the halide ions series for four sets
of Lennard-Jones parameters (all developed for solvation in water). Instead of a comparison …

… small negative ions reside in the interior of polarizable water … the issue of ion solvation in a
water cluster with extensive MD … driving forces involved in ion solvation. We have therefore pro…

… distortion of the six octahedrally coordinated water molecules which solvate the cupric ion.
This observation raises interesting and important theoretical questions as to the meaning of …