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Electron-topological, geometrical and energetic characteristics of the intermolecular specific contacts—H-bonds and attractive van der Waals (vdW) contacts in the investigated DNA base pairs and TSs of their tautomeric transformations obtained at the B3LYP/6-311++G(d,p) level of QM theory (ε = 1) (see Figs 1 and 2).

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Electron-topological, geometrical and energetic characteristics of the intermolecular specific contacts—H-bonds and attractive van der Waals (vdW) contacts in the investigated DNA base pairs and TSs of their tautomeric transformations obtained at the B3LYP/6-311++G(d,p) level of QM theory (ε = 1) (see Figs 1 and 2).

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2018-06-27
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