The SCC-DFTB method and its application to biological systems

Theoretical Chemistry Accounts

Volumn 116, Issue 1-3, 2006, Pages 316-325

  Elstner, M ^a,b  

^a UNIVERSITY OF PADERBORN   (Germany)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

Author keywords

DFT; Dispersion interaction; Excited states; Proton transfer; QM MM; SCC DFTB; TD Hydrogen bonds

Indexed keywords

EID: 33748283200     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-005-0066-0     Document Type: Article

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