Theoretical investigation of quercetin and its radical isomers

2003-08-01
Erkoc, E
Erkoc, F
Keskin, N
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.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

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Citation Formats
E. Erkoc, F. Erkoc, and N. Keskin, “Theoretical investigation of quercetin and its radical isomers,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 141–146, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/66840.