Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide

Dean M. Philipp, Richard A. Friesner. Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide. Journal of Computational Chemistry, 20(14):1468-1494, 1999. [doi]

Abstract

Abstract is missing.