Skip to main content
. Author manuscript; available in PMC: 2014 Aug 1.
Published in final edited form as: Photochem Photobiol Sci. 2013 Aug;12(8):1328–1340. doi: 10.1039/c3pp25430e

Figure 1.

Figure 1

The ωB97XD/6–31G* calculated optimized structures of 8-oxoG-C base pair in (a) ground state (S0), (b) 1ππ* LE, (c) 8-oxoG•+-C•−; 1ππ*(CT) (N1-H and N2-H in 8-oxoG were constrained during optimization) and (d) PT-CT 8-oxoG(-H)•-C(H)•; (1ππ*(CT)). The pink circle shows the location of proton in the base pairs.