Parameterization of DFTB3/3OB for sulfur and phosphorus for chemical and biological applications

Journal of Chemical Theory and Computation

Volumn 10, Issue 4, 2014, Pages 1518-1537

  Gaus, Michael ^a   Lu, Xiya ^a   Elstner, Marcus ^b   Cui, Qiang ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84898462014     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct401002w     Document Type: Article

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