Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations

Jonah Z. Vilseck, Somisetti V. Sambasivarao, Orlando Acevedo. Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations. Journal of Computational Chemistry, 32(13):2836-2842, 2011. [doi]

Abstract

Abstract is missing.