Figure 1.
(a) constrained geometry optimization scheme. Unrestricted B3LYP/6-31G(d) optimized geometries of (b) dG•+pdG, (c) dA(-H)•pdA, (d) dA(-H)•pdT, (e) TpdA(-H)•, (f) dG•+pdT and (g) (dApdA)•+
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