Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds.

I Jen Chen Daxu Yin Alexander D. MacKerell Jr. Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds. 199-213 2002 23 Journal of Computational Chemistry 2 http://dx.doi.org/10.1002/jcc.1166 db/journals/jcc/jcc23.html#ChenYM02