[Density functional theory investigation on antioxidation activity of four flavonoids from Rhododendri Daurici Folium].

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

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http://dx.doi.org/10.4268/cjcmm20161418	DOI Listing