Absorption spectra of caffeic acid, caffeate and their 1:1 complex with AI(III): Density functional theory and time-dependent density functional theory investigations

Journal of Physical Chemistry A

Volumn 110, Issue 22, 2006, Pages 7159-7166

  Cornard, Jean Paul ^a   Lapouge, Christine ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ALUMINUM COMPOUNDS; COMPUTER SIMULATION; IONS; PROBABILITY DENSITY FUNCTION; ULTRAVIOLET SPECTROSCOPY;

CAFFEIC ACID; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TD-DFT); TRANSFER PROBABILITY;

CARBOXYLIC ACIDS;

EID: 33745497534     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp060147y     Document Type: Article

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