Distributed Multipole Analysis
Chem. Phys. Lett.
(1981), 83, pp. 233. , 1053 Mol. Phys.
(1985), 56, pp. 1047. (DMA) is a method to represent the electrostatic potential of a molecule in terms of a multipole expansion around a set of points. The gdma code 1055 J. Chem. Theory Comput.
(2005), 1, pp. 1128. by Prof. Anthony Stone can be used to perform DMA analysis after Q-Chem calculations. The gdma program works with formatted checkpoint files (.fchk) produced by Q-Chem. For further information consult the documentation for the gdma package. 1055 J. Chem. Theory Comput.
(2005), 1, pp. 1128.