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General Methodology to Optimize Damping Functions to Account for Charge Penetration Effects in Electrostatic Calculations Using Multicentered Multipolar Expansions
Werneck, Araken S., Filho, Tarcísio M. Rocha, Dardenne, Laurent E.Volume:
112
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp075566p
Date:
January, 2008
File:
PDF, 218 KB
english, 2008