Research Article
Experimental and Theoretical Studies on the Corrosion Inhibition of Brass in Hydrochloric Acid by N-(4-((4-Benzhydryl Piperazin-1-yl) Methyl Carbamoyl) Phenyl) Furan-2-Carboxamide
Figure 13
(a) Optimized molecular structure of BFC |
(b) Frontier molecular orbital density distribution of BFC (HOMO) |
(c) Frontier molecular orbital density distribution of BFC (LUMO) |
(d) Mulliken charges for BFC molecule |