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. 2014 May 5;118(20):5453–5458. doi: 10.1021/jp5028004

Figure 3.

Figure 3

ωb97x/6-31++G(D) based electronic configuration of one-electron oxidized A•+-T, A(-H)-T(H+), G•+-C, and G(-H)-C(H+). Spin-density distributions are shown for radicals, and MO plots are shown for the singlet state. Location of SOMO is green highlighted. ET = electron transfer.