Parametrization and benchmark of DFTB3 for organic molecules

Journal of Chemical Theory and Computation

Volumn 9, Issue 1, 2013, Pages 338-354

  Gaus, Michael ^a,b   Goez, Albrecht ^c   Elstner, Marcus ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

^c TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84872145856     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct300849w     Document Type: Article

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