Metal complexation of protocatechuic acid and its derivatives: Determination of the optimal computational conditions for the simulation of electronic spectra

Journal of Molecular Structure: THEOCHEM

Volumn 806, Issue 1-3, 2007, Pages 131-140

  André, Erwan ^a   Lapouge, Christine ^a   Cornard, Jean Paul ^a  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

DFT; Protocatechuate; Protocatechuic acid; TD DFT; UV visible spectroscopy

Indexed keywords

EID: 33846813494     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.11.017     Document Type: Article

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