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| CYS | SD | SD-CYS | |
|---|---|---|---|
| EHOMO(eV) | -7.02 | -6.29 | -6.53 |
| ELUMO(eV) | -0.60 | -1.71 | -2.09 |
| ΔEH-L (eV) | 6.42 | 4.58 | 4.44 |
| IP (eV) | 7.02 | 6.29 | 6.53 |
| EA (eV) | 0.60 | 1.71 | 2.09 |
| χ (eV) | 3.81 | 4.00 | 4.31 |
| η (eV) | 3.21 | 2.29 | 2.22 |
| σ (eV-1) | 0.31 | 0.44 | 0.45 |
| μ (eV) | -3.81 | -4.00 | -4.31 |
| ω (eV) | 2.26 | 3.57 | 4.18 |
