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. 2025 Jun 9;64(24):12242–12253. doi: 10.1021/acs.inorgchem.5c01593

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B3LYP*/STO-ZORA-TZ2P MO energy level diagrams of Re porphyrins and corroles based on OLYP-D3 ground-state optimized geometries. Cor and Por refer to unsubstituted corrolato­(3-) and porphyrinato­(2-) ligands, respectively. Doubly occupied and unoccupied MO energy levels are indicated in blue and red, respectively.