Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.
Christophe NarthLouis LagardèreÉtienne PolackNohad GreshQiantao WangDavid R. BellJoshua A. RackersJay W. PonderPengyu Y. RenJean-Philip PiquemalPublished in: J. Comput. Chem. (2016)