Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential.

Marek Freindorf Yihan Shao Thomas R. Furlani Jing Kong Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential. 1270-1278 2005 26 Journal of Computational Chemistry 12 http://dx.doi.org/10.1002/jcc.20264 db/journals/jcc/jcc26.html#FreindorfSFK05