Optimized structure and thermochemical properties of flavonoids determined by the CHIH(medium)-DFT model chemistry versus experimental techniques

Journal of Molecular Structure

Volumn 871, Issue 1-3, 2007, Pages 114-130

  Mendoza Wilson, Ana María ^a   Lardizabal Gutiérrez, Daniel ^b   Torres Moye, Enrique ^b   Fuentes Cobas, Luis ^b   Balandrán Quintana, René R ^c   Camacho Dávila, Alejandro ^c   Quintero Ramos, Armando ^c   Glossman Mitnik, Daniel ^a  

^a Grupo NANOCOSMO   (Mexico)

^b CENTRO DE INVESTIGACIÓN EN MATERIALES AVANZADOS   (Mexico)

^c UNIVERSIDAD AUTÓNOMA DE CHIHUAHUA   (Mexico)

Author keywords

Antioxidant activity; Calorimetry; Catechin; Cyanidin; DFT; Flavonoids; Optimization; Quercetin; Thermochemical; X ray diffraction

Indexed keywords

CALORIMETRY; DENSITY FUNCTIONAL THEORY; IONIZATION POTENTIAL; OPTIMIZATION; X RAY DIFFRACTION;

BOND DISSOCIATION ENTHALPY (BDE); CYANIDIN; FLAVONOIDS; HETEROCYCLIC SYSTEMS; ISODESMIC REACTIONS; QUERCETIN; THERMOCHEMICAL PROPERTIES;

PIGMENTS;

EID: 36048956039     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.02.008     Document Type: Article

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