General Methodology to Optimize Damping Functions to...

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.
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Volume:
112
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp075566p
Date:
January, 2008
File:
PDF, 218 KB
english, 2008
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