On the performance of gradient-corrected approximation functionals and polarizable continuum model in the study of 1,2,3-triazine in water

Journal of Molecular Structure: THEOCHEM

Volumn 764, Issue 1-3, 2006, Pages 87-93

  Zazza, Costantino ^a,c   Grandi, Andrea ^a   Bencivenni, Luigi ^b   Aschi, Massimiliano ^c  

^a CASPUR   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

^c UNIVERSITY OF L'AQUILA   (Italy)

Author keywords

Solvent effects; Vertical excitation energies

Indexed keywords

EID: 33745177273     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.02.019     Document Type: Article

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