A hybrid QM/MM method employing real space grids for QM water in the TIP4P water solvents

H. Takahashi, T. Hori, H. Hashimoto, T. Nitta. A hybrid QM/MM method employing real space grids for QM water in the TIP4P water solvents. Journal of Computational Chemistry, 22(12):1252-1261, 2001. [doi]

Abstract

Abstract is missing.