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Initial Steps toward Automating the Fitting of DFTB E rep ( r ) †
Knaup, J. M., Hourahine, B., Frauenheim, Th.Volume:
111
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp0688097
Date:
July, 2007
File:
PDF, 102 KB
english, 2007