… are different (the solvated FQ charges are larger) and the Lennard-Jones parameters are
different for … models, although this study still finds the opposite sign for the relative solvation free …

… , we extended the simulation to study ion solvation in a periodic box of water. … II we describe
the potential models and method- … The model consists of the Lennard-Jones and electrostatic …

… more mobile than other solvated cations of similar charge … microscopic picture of the solvation
and transport of excess … environment therefore defy traditional solvation models for ions in …

… potentials are considered. These are based on a 12-6-Lennard-Jones potential and our M*P1
potentials… solvation models to describe the relative solvation shifts in acetone, see ref 13. …

… , is needed in the modeling of liquids. Despite … Jones plus Coulomb potential between each
ionic species and the water molecules is attractive, compared to the Lennard-Jones potential …

… , and solvation properties, for example—and toward less computational expense. Simplified
models can … what we learn from more complex models. One ultimate goal is more tractable …

… the implicit solvation models and our explicit solvation scheme are related to the non-electrostatic
energy terms associated with the displacement of water molecules upon adsorption. …

… Lennard-Jones potential. The values for … solvation models which is normally treated on a
particularly inaccurate, indeed arbitrary, level. The development of simple and accurate models …

… of solvated biological molecules as the three-site models such as … expensive than other
models cited above. In addition, water … by a Lennard-Jones (LJ) type potential. Second, since the …

… the Lennard-Jones parameters from Table 1 and two models of the water molecule (flexible
(BJH), 27 E flexible , and rigid (SPC/E), 28 E rigid ), and also for the ab initio potentials 17 E …