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

Daxu Yin Alexander D. MacKerell Jr. Combined ab initio/empirical approach for optimization of Lennard-Jones parameters. 334-348 1998 19 Journal of Computational Chemistry 3 http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3<334::AID-JCC7>3.0.CO;2-U db/journals/jcc/jcc19.html#YinM98