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- Title
Quantum-chemical study, IR spectra, and intramolecular hydrogen bonds in dimeric 5- and 6-methyluracils.
- Authors
Naumov, V. A.; Tafipol'skii, M. A.; Reznik, V. S.
- Abstract
Comparative analysis of the geometry, atomic charges, force constants, and IR spectra of crystals of isomeric 5- and 6-methyluracils was performed by quantum-chemical methods. Dimeric and trimeric associates of C-methyluracil molecules and their dimers with adenine were calculated in order to estimate the energies of intramolecular hydrogen bonds. Thymine in DNA is impossible to replace by 6-methyluracillargely by steric reasons.
- Subjects
COMPARATIVE studies; HYDROGEN; CHEMICAL bonds; GEOMETRY; CRYSTALS; MOLECULES; DIMERS
- Publication
Russian Journal of General Chemistry, 2004, Vol 74, Issue 12, p1926
- ISSN
1070-3632
- Publication type
Academic Journal
- DOI
10.1007/s11176-005-0120-6