Research Article
Quantum Chemical Study on the Corrosion Inhibition of Some Oxadiazoles
Table 1
Molecular property of
-POXs calculated with B3LYP/6-31G
∗.
| Compound | | | () | Dipole moment | Inhibition efficiency | eV | eV | eV | (Deby) | (%) |
| 2-POX | −7.33 | −2.53 | 4.80 | 0.431 | 79 | 3-POX | −7.15 | −2.58 | 4.57 | 0.466 | 84 | 4-POX | −7.37 | −2.48 | 4.89 | 0.423 | 68 |
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