Figure 3
From: Quantum chemical assessment of benzimidazole derivatives as corrosion inhibitors

B3LYP/6-31G++(d,p) optimized geometries, HOMO and LUMO of 2-mercaptobenzimidazole (2-SH-BI) and the optimized geometries of eight models.
From: Quantum chemical assessment of benzimidazole derivatives as corrosion inhibitors
B3LYP/6-31G++(d,p) optimized geometries, HOMO and LUMO of 2-mercaptobenzimidazole (2-SH-BI) and the optimized geometries of eight models.