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"SCC-DFTB parameters for simulating hybrid gold-thiolates compounds."
Arnaud Fihey et al. (2015)
- Arnaud Fihey, Christian Hettich, Jérémy Touzeau, François Maurel, Aurélie Perrier, Christof Köhler, Bálint Aradi, Thomas Frauenheim:
SCC-DFTB parameters for simulating hybrid gold-thiolates compounds. J. Comput. Chem. 36(27): 2075-2087 (2015)
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