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. 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 5.

Figure 5

Vertical excitation energy in eV of 8-oxoG-A base pair obtained using the TD-ωB97XD/6–31G* method(ε = 1). The nature of the transition and molecular orbitals involved in the excitation (S1 – S9) are also given. For details, see Table 3.