| Parameters | Dodecyl sulphate (DS) | Sodium Dodecyl sulphate (SDS) | Copper Dodecyl sulphate (CDS) |
| ELUMO (eV) | −0.58 eV | −1.27 eV | −1.31 eV |
| EHOMO (eV) | −11.13 eV | −9.97 eV | −9.43 eV |
| ∆E = ELUMO − EHOMO (eV) | 10.55 eV | 8.7 eV | 8.12 eV |
| Dipole moment, μ (Debye) | 2.48 Debye | 11.19 Debye | 3.52 Debye |
| Ionization energy, I (eV) | 11.13 eV | 9.97 eV | 9.43 eV |
| Electron affinity, A (eV) | 0.58 eV | 1.27 eV | 1.31 eV |
| Absolute electronegativity, χ (eV) | 5.86 eV | 5.62 eV | 5.37 eV |
| Absolute hardness, η (eV) | 5.28 eV | 4.35 eV | 4.06 eV |
| Global softness, σ (eV−1) | 0.189 eV−1 | 0.230 eV−1 | 0.246 eV−1 |
| Electrophilicity index, ω (eV) | 3.252 eV | 3.630 eV | 3.551 eV |
| Total energy change, ∆ET (eV) | −1.32 eV | −1.09 eV | 1.02 eV |