Theoretical investigation of hydroxytyrosol and its radicals

Date

2003-05-05

Author

Erkoc, F
Keskin, N
Erkoç, Şakir

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The structural and electronic properties of hydroxytyrosol, its three radical isomers, and its three analogues hydroxytyrosol-dihydroxyl isomers have been investigated theoretically by performing semi-empirical self-consistent field molecular orbital theory calculations. The geometry of the systems have been optimized and the electronic properties have been calculated at the level of AMI method.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/57528

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(03)00006-x

Collections

Department of Physics, Article

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Citation Formats

F. Erkoc, N. Keskin, and Ş. Erkoç, “Theoretical investigation of hydroxytyrosol and its radicals,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 87–94, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57528.