Impact of tautomers on the absorption spectra of neutral and anionic alizarin and quinizarin dyes

Journal of Molecular Structure: THEOCHEM

Volumn 901, Issue 1-3, 2009, Pages 24-30

  Preat, Julien ^a   Laurent, Adèle D ^c   Michaux, Catherine ^b   Perpète, Eric A ^b   Jacquemin, Denis ^b  

^a UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

^b UNIVERSITY OF NAMUR   (Belgium)

^c NANCY UNIVERSITÉ   (France)

Author keywords

Absorption spectra modelling; DFT; pH Effects; Solvation effects; TDDFT

Indexed keywords

EID: 63149114622     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.12.032     Document Type: Article

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