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This study represents novel and previously unknown conformational and tautomeric transformations of the classical Watson-Crick А·Т DNA base pairs – Watson-Crick А·Т(WC), reverse Watson-Crick А·Т(rWC), Hoogsteen А·Т(Н) and reverse Hoogsteen А·Т(rН), leading to the novel, nonplanar conformations or tautomers of these base pairs. Кеуwords – А·Т DNA base pairs, Watson-Crick, Reverse Watson-Crick, Hoogsteen, Reverse Hoogsteen, Wobble structure, DNA breathing, DNA pre-melting, Conformational transformation, Tautomeric transition, Transition state, Quantum-chemical calculations, Bader’s Quantum Theory of Atoms in Molecules.

Quantum-mechanical survey of the novel conformational and tautomeric transformations of the classical Watson-Crick А·Т(WC), reverse Watson-Crick А·Т(rWC), Hoogsteen А·Т(Н) and reverse Hoogsteen А·Т(rН) DNA base pairs