SCC-DFTB parameters for simulating hybrid gold-thiolates...

Journal of Computational Chemistry 2015 / 10 Vol. 36; Iss. 27

SCC-DFTB parameters for simulating hybrid gold-thiolates compounds

Fihey, Arnaud, Hettich, Christian, Touzeau, Jérémy, Maurel, François, Perrier, Aurélie, Köhler, Christof, Aradi, Bálint, Frauenheim, Thomas
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Volume:
36
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.24046
Date:
October, 2015
File:
PDF, 1.29 MB
english, 2015
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