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. Journal of Computational Chemistry, 26(12):1270-1278, 2005. [doi]

Abstract

Abstract is missing.