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- W1971489746 abstract "The structural and electronic properties of quercetin and its five radical isomers have been investigated theoretically by performing semi-empirical molecular orbital theory calculations. The geometry of the systems have been optimized and the electronic properties of the systems considered have been calculated by semi-empirical self-consistend-field molecular orbital theory at the level AM1 within UHF formalism in their ground state. Conclusions have been drawn by comparing with experimental results." @default.
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- W1971489746 date "2003-08-01" @default.
- W1971489746 modified "2023-10-18" @default.
- W1971489746 title "Theoretical investigation of quercetin and its radical isomers" @default.
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- W1971489746 doi "https://doi.org/10.1016/s0166-1280(03)00237-9" @default.
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