Theoretical investigation of hydroxytyrosol and its radicals

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Atıf İçin Kopyala

Erkoc F., Keskin N., Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.625, ss.87-94, 2003 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 625
• Basım Tarihi: 2003
• Doi Numarası: 10.1016/s0166-1280(03)00006-x
• Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.87-94
• Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

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. (C) 2003 Elsevier Science B.V. All rights reserved.