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Quantum chemical parameters.
| Ligand | |
|---|---|
| HOMO | −0.2040 (−5.50 eV) |
| LUMO | −0.0722 (−1.96 eV) |
| ΔE | 0.1302 (3.54 eV) |
| Mulliken Electronegativity χ | 0.1373 |
| Global Hardness η | 0.0651 |
| Absolute softness σ | 15.3609 |
| Chemical Potential μ | −0.1373 |
| Global Softness S | 7.6804 |
| Global Electrophilicity ω | 0.1447 |
| Electronic Charge ΔN | 2.1090 |
| Dipole Moment | 3.4276 |
