Application of a BOSS - Gaussian interface for QM/MM simulations of Henry and methyl transfer reactions

Jonah Z. Vilseck, Jakub Kostal, Julian Tirado-Rives, William L. Jorgensen. Application of a BOSS - Gaussian interface for QM/MM simulations of Henry and methyl transfer reactions. Journal of Computational Chemistry, 36(27):2064-2074, 2015. [doi]

Abstract

Abstract is missing.