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We present parametrizations for the nonaqueous solvents dimethyl sulfoxide, ethanol, CCl 4, CHCl 3, and CH 2 Cl 2 that are compatible with the recent AMBER force field by Cornell et al. ( J. Am. Chem. Soc. 1995, 117, 5179−5197). With the general procedure for generating new parameters and the RESP approach to obtain the atomic charges, we achieve flexible all-atom solvent models whose density, heat of vaporization, diffusion constant, and rotational correlation times are especially for a generic force field in good agreement with available experimental data.
Fox et al. (Sat,) studied this question.