Structural and electronic properties of guanine and guanosine


Erkoc F., Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.589, ss.405-411, 2002 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 589
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1016/s0166-1280(02)00298-1
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.405-411

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.