Structural and electronic properties of guanine and guanosine

Date

2002-08-16

Author

Erkoc, F
Erkoç, Şakir

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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.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/51300

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(02)00298-1

Collections

Department of Physics, Article

Citation Formats

F. Erkoc and Ş. Erkoç, “Structural and electronic properties of guanine and guanosine,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol. 589, pp. 405–411, 2002, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/51300.