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NICS(0)iso grids for c ‐P6 at the B3LYP/6‐31+G* level of theory: a) neutral; b) 4− state; c) 6− state. The location of porphyrin subunits is indicated by white circles. The NICS(0)iso and NICS(0)zz values at the centers of the rings are indicated at the center of each plot. Further NICS grids and results from other levels of theory are available in the Supporting Information (see Table S1 and Figures S1 and S2).
