PCM/TD-DFT study of the two lowest excited states of uracil derivatives in solution: The effect of the functional and of the cavity model

Journal of Molecular Structure: THEOCHEM

Volumn 914, Issue 1-3, 2009, Pages 87-93

  Improta, Roberto ^a,b   Barone, Vincenzo ^c  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b CNR   (Italy)

^c SCUOLA NORMALE SUPERIORE   (Italy)

Author keywords

DNA; Excited states; Polarizable Continuum Model; TD DFT

Indexed keywords

EID: 84961980703     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.02.021     Document Type: Article

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