Density functional theory investigation on antioxidation activity of four flavonoids from Rhododendri Daurici Folium / 中国中药杂志
China Journal of Chinese Materia Medica
;
(24): 2675-2679, 2016.
Article
in Chinese
| WPRIM
| ID: wpr-275186
ABSTRACT
Four main flavonoids of the Chinese medicine Rhododendri Daurici Folium were studied using the density functional theory (DFT) B3LYP method with 6-311 + + G (d, p) basis set.Their activities were analyzed based on molecular structure, bond dissociation energy (BDE) and the energy gap between HOMO and LUMO. As a result, the antioxidant ability order of the four flavonoids compounds is farrerol<kaempferol< quercetin <myricetin base on the work.
Full text:
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Index:
WPRIM (Western Pacific)
Language:
Chinese
Journal:
China Journal of Chinese Materia Medica
Year:
2016
Type:
Article
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