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. Author manuscript; available in PMC: 2015 Dec 14.
Published in final edited form as: Phys Chem Chem Phys. 2010;12(20):5353–5368. doi: 10.1039/b925496j

Figure 9.

Figure 9

The fully optimized geometries of (a) G(N1-H)•:C and (d) G(N2-H)•:C in the presence of 11 water molecules. The optimization was carried out with the aid of DFT/B3LYP/6-31+G** method. The relative stabilities between G•+: C and G(N1-H)•:C(+H+) and G(N1-H)•:C and G(N2-H)•:C are given in parentheses.