Efficient Molecular Dynamics Simulations of Multiple...

Journal of Physical Chemistry A 2014 / 10 Vol. 118; Iss. 41

Efficient Molecular Dynamics Simulations of Multiple Radical Center Systems Based on the Fragment Molecular Orbital Method

Nakata, Hiroya, Schmidt, Michael W., Fedorov, Dmitri G., Kitaura, Kazuo, Nakamura, Shinichiro, Gordon, Mark S.
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Volume:
118
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp507726m
Date:
October, 2014
File:
PDF, 2.15 MB
english, 2014
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