| Pz | Porphyrazine |
| TTDPz | Tetrakis(1,2,5-thiadiazole) porphyrazine |
| DFT | Density Functional Theory |
| TDDFT | Time Dependent Density Functional Theory |
| NBO | Natural bond orbital |
| QTAIM | Quantum theory of atoms in molecules |
| Pz | Porphyrazine |
| TTDPz | Tetrakis(1,2,5-thiadiazole) porphyrazine |
| DFT | Density Functional Theory |
| TDDFT | Time Dependent Density Functional Theory |
| NBO | Natural bond orbital |
| QTAIM | Quantum theory of atoms in molecules |