Research Article
Study of New Thiazole Based Pyridine Derivatives as Potential Corrosion Inhibitors for Mild Steel: Theoretical and Experimental Approach
Table 8
List of quantum chemical parameters.
| Quantum chemical parameters | 2-MTPH | 3-MTPH | 4-MTPH |
| (eV) | 9.690 | −7.7998 | −7.7473 | (eV) | 10.087 | 2.165 | 2.119 | (eV) | 0.3971 | 9.9647 | 9.8473 | Dipole moment (debyes) | 3.2405 | 3.0251 | 3.2778 | Ionisation potential | −9.690 | 7.998 | 7.8475 | Hardness of the molecule () | 0.3971 | 4.9823 | 4.9831 | Softness () | 2.5178 | 0.2007 | 0.2006 |
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