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