Figure 4.
B3LYP-PCM/6-31++G**-calculated spin density distribution and electronic configuration (α and β MOs) of 1-metcyt (neutral), 1-metcyt•+, 1-metcyt(-H)•, and 1-metcytN•. MO energies are given in eV. H = HOMO, L = LUMO, and S = SOMO.
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