Table 8 Quantum chemical parameters of AEO7 calculated at the B3LYP/cc-pvdz level of theory
From: AEO7 Surfactant as an Eco-Friendly Corrosion Inhibitor for Carbon Steel in HCl solution
∆Egap(eV) | I (eV) | A (eV) | γ (eV) | X (eV) | δ (eV) | μ (D) |
|---|---|---|---|---|---|---|
8.21 | 6.89 | −1.31 | 4.10 | 2.79 | 0.24 | 0.48 |
