The basic antioxidant structure for flavonoid derivatives

An antioxidant structure–activity study is carried out in this work with ten flavonoid compounds using quantum chemistry calculations with the functional of density theory method. According to the geometry obtained by using the B3LYP/6-31G(d) method, the HOMO, ionization potential, stabilization ene...

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Veröffentlicht in:	Journal of molecular modeling 2012-09, Vol.18 (9), p.4073-4080
Hauptverfasser:	Mendes, Anna P. S., Borges, Rosivaldo S., Neto, Antonio M. J. Chaves, de Macedo, Luiz G. M., da Silva, Albérico B. F.
Format:	Artikel
Sprache:	eng
Schlagworte:	Antioxidants - chemistry Cations Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry Flavonoids - chemistry Free Radicals - chemistry Models, Molecular Molecular Medicine Original Paper Structure-Activity Relationship Theoretical and Computational Chemistry
Online-Zugang:	Volltext
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