Parametrization of the SCC-DFTB method for halogens

Journal of Chemical Theory and Computation

Volumn 9, Issue 7, 2013, Pages 2939-2949

  Kubař, Tomáš ^a   Bodrog, Zoltán ^b,c   Gaus, Michael ^a   Köhler, Christof ^b   Aradi, Bálint ^b   Frauenheim, Thomas ^b   Elstner, Marcus ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF BREMEN   (Germany)

^c INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84880013754     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct4001922     Document Type: Article

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