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Automatized Parametrization of SCC-DFTB Repulsive Potentials: Application to Hydrocarbons †

✍ Scribed by Gaus, Michael; Chou, Chien-Pin; Witek, Henryk; Elstner, Marcus


Book ID
121190066
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
467 KB
Volume
113
Category
Article
ISSN
1089-5639

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