QUANTUM-CHEMICAL DESCRIPTION OF THE PROTOTROPIC TAUTOMERISM OF PYRIMIDINE BASES

Authors

  • Дж. А. Кереселидзе I. Javakhishvili Tbilisi State University, Tbilisi 0128
  • З. В. Пачулия I. Javakhishvili Tbilisi State University, Tbilisi 0128
  • Т. Ш. Заркуа I. Javakhishvili Tbilisi State University, Tbilisi 0128

DOI:

https://doi.org/10.1007/6690

Keywords:

thymine, uraci, cytosine, quantum-chemical calculations, prototropic tautomerism, functional density theory, energy of activation

Abstract

The energy characteristics of the tautomeric transformations of cytosine, thymine, and uracil have been calculated within the framework of the quantum chemistry theory of functional density. It was concluded that the directions of the tautomeric conversions are characterized by energies of activation calculated according to the theory of functional density.

How to Cite
Kereselidze, J. A.; Pachulia, Z. V.; Zarqua, T. Sh.  Chem. Heterocycl. Compd. 2009, 45, 680. [Khim. Geterotsikl. Soedin. 2009, 856.]

For this article in the English edition see DOI 10.1007/s10593-009-0331-6


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Published

2022-03-24

Issue

No. 6 (2009)

Section

Original Papers