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. 2013 Oct 6;10(87):20130415. doi: 10.1098/rsif.2013.0415

Figure 3.

Figure 3.

Analysis of the electronic structure of the radical cation guanine on the DFT-level B3LYP/def2-TZVP. The overlap of occupied valence orbitals of the radical cation with those of the neutral molecule. (The HOMO of the neutral molecule is no. 27. The β-MO no. 27 of the radical cation is unoccupied.) (Online version in colour.)