… a new solvation model based on the weighted solvent accessible surface area (WSAS) using
a rather large molecular set (387 neutral molecules and 14 ions). The solvation free energy …

… Use of an analytic surface area algorithm provides … model with those of other continuum
solvation models. Finally, we highlight applications of the SM8 models to compute ionic solvation …

… surface area (SESA) model, … surface area (STSA) model, given that it uses theoretical
instead of experimental K a/w values in eq 20. It is important to point out that the STSA model is …

… solvation models. Our numerical results reveal that the LJ potential plays a vital role in nonpolar
solvation modeling, … -based nonpolar solvation models offer some of the best solvation …

… solvation model based on accessible surface areas was reported, which can be used to
predict the solvation free … This solvation model is based on atom-weighted solvent accessible …

… or other solvation effects, two quantities of general interest are the accessible surface
area1 and the molecular surface area,2 illustrated in Figure 1. The accessible surface follows …

… The solvent-accessible surface area is often used to model nonpolar solvation for … surface
tension and probe radius has only rarely been considered. Volume-based nonpolar solvation …

… In contrast to solvation models that assume for both contributions a linear surface area
dependence, in the present study, the solute−solvent van der Waals interaction was calculated …

… , we examine several continuum models for estimating the free energy of solvation. We find
… , molecular surface area, and the electrostatic component from any reaction field model is …

… , we constructed four solvation models (see model I, model II, model III and model IV in Table
3). In model I and model II, the correction factor was used in the fitting process. In model I, …