Many-body exchange-repulsion in polarizable molecular mechanics. I. orbital-based approximations and applications to hydrated metal cation complexes

Robin Chaudret, Nohad Gresh, Olivier Parisel, Jean-Philip Piquemal. Many-body exchange-repulsion in polarizable molecular mechanics. I. orbital-based approximations and applications to hydrated metal cation complexes. Journal of Computational Chemistry, 32(14):2949-2957, 2011. [doi]

Abstract

Abstract is missing.