Modelling vibrational coupling in DNA oligomers: A computational strategy combining QM and continuum solvation models

Theoretical Chemistry Accounts

Volumn 131, Issue 3, 2012, Pages 1-10

  Biancardi, Alessandro ^a   Cammi, Roberto ^b   Cappelli, Chiara ^a   Mennucci, Benedetta ^a   Tomasi, Jacopo ^a  

^a UNIVERSITY OF PISA   (Italy)

^b UNIVERSITY OF PARMA   (Italy)

Author keywords

Cytosine; DFT calculations; DNA pairs; Guanine; Hessian matrix reconstruction; Partial hessian vibrational approach; Solvent effects; Vibrational coupling

Indexed keywords

EID: 84856848547     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1157-3     Document Type: Article

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