Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence.

Sun, 01 Jan 2012 00:00:00 +0100

Christian Kramer , Peter Gedeck , Markus Meuwly:
Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence. J. Comput. Chem. 33(20): 1673-1688 (2012)