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Calculated electronic properties of the Parthenolide. All values are in eV and S is in eV−1
| S. No | Molecular Properties | Values (eV) |
|---|---|---|
| 1 | HOMO | -6.42 |
| 2 | LUMO | -1.54 |
| 3 | Energy gap (Eg) | 4.88 |
| 4 | Ionization potential (IP) | 6.42 |
| 5 | Electron affinity (EA) | 1.54 |
| 6 | Electrophilicity Index (ω) | 3.24 |
| 7 | Chemical Potential (μ) | -3.98 |
| 8 | Electronegativity (χ) | 3.98 |
| 9 | Softness (S) | 0.40 |
| 10 | Hardness (η) | 2.44 |
