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. Author manuscript; available in PMC: 2011 Dec 8.
Published in final edited form as: Chem Rev. 2010 May 5;110(12):7002–7023. doi: 10.1021/cr100023g

Figure 28.

Figure 28

Plots of the singly occupied molecular orbitals (SOMOs) for the nucleoside pair dG-dC•− and proton transferred dG(−H)−-dC(+H)•. The dG(−H)−-dC(+H)• is 2.3 kcal/mol more stable than the dG-dC•− calculated by B3LYP/DZP++ method.244 (Figure 1 (in part) and Figure 4 (SOMO plots) reproduced with permission from ref. 244. Copyright 2007, American Institute of Physics).