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Efficient Geometry Optimization of Large Molecular Systems in Solution Using the Fragment Molecular Orbital Method
Nakata, Hiroya, Fedorov, Dmitri G.Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.6b09743
Date:
November, 2016
File:
PDF, 11.88 MB
english, 2016