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Consistent implementation of the electronegativity equalization method in molecular mechanics and molecular dynamics
Author(s):
Konstantin S. Smirnov
,
Bastiaan van de Graaf
,
KS Smirnov
,
B. Graaf
Publication date:
1996
Journal:
Faraday Trans.
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DOI::
10.1039/ft9969202469
ScienceOpen disciplines:
Chemistry
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Chemistry
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