Structural and electronic properties of guanine and guanosine

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Atıf İçin Kopyala

Erkoc F., Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.589, ss.405-411, 2002 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 589
• Basım Tarihi: 2002
• Doi Numarası: 10.1016/s0166-1280(02)00298-1
• Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.405-411
• Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

The structural and electronic properties of guanine and guanosine have been investigated theoretically by performing semi-empirical and ab initio molecular orbital theory calculations. The geometry of the systems have been optimized considering the semi-empirical molecular orbital theory at the level of Austin model 1, and the electronic properties of the systems have been calculated by ab initio restricted Hartree-Fock with including full MP2 correlation correction in their ground state. (C) 2002 Elsevier Science B.V. All rights reserved.