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. 2014 Oct 8;111(42):15001–15006. doi: 10.1073/pnas.1414908111

Fig. 4.

Fig. 4.

Calculated (B3P86 solvated phase; IsoValue: 0.05): (A) SOMO of [3-Ni] showing electron density localized on the nickel center. (B) SOMO and (C) SOMO–1 of [3-Ni]2– showing that the second electron is localized primarily on the ligands.