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- Title
Quantum-chemical analysis of all possible m¹Thy.m<sup>9</sup>Ade pairs of DNA bases including rare tautomers, associated with hydrogen bonds.
- Authors
Plodnik, D. P.; Voiteshenko, I. S.; Hovorun, D. M.
- Abstract
A complete family of pairs bases of DNA m'Thy-m9Ade in rare tautomeric forms associated with intermolecular H-bonds, which has 78 different structures, was obtained at first time by the methods of quantum chemistry at the level of theory MP2/6-311++G(2df,pd)//B3LYP/6-311 + +G(d,p). Was investigated their basic physical and chemical properties and, particularly, structural properties. We describe the intermolecular hydrogen bonds that stabilize them, with the main attention is paid to the H-bonds CH...O/N.
- Publication
Ukrainica Bioorganica Acta, 2013, Vol 11, Issue 2, p12
- ISSN
1814-9758
- Publication type
Article