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Theoretical investigation of hydroxytyrosol and its radicals

2003-05-05
Erkoc, F
Keskin, N
Erkoç, Şakir
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.