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From
Theoretical Study of Functionalized Nitrogen–Sulfur Heterocycles-Based Corrosion Inhibitors
Sangaré Kassoum, Coulibaly Bamoro, Seyhi Brahima, Diomandé Sekou, Yao-Kouassi Akoua Philomène
Journal of Materials Physics and Chemistry
.
2025
, 13(1), 16-21 doi:10.12691/jmpc-13-1-3
Figure 1.
Optimized structure of benzimidazole and their derivatives using Gaussian 09 at B3LYP/6 31+G(d,p) level of theory
Full size figure and legend
Figure 2.
Frontier molecular orbitals (FMO) of benzimidazole and their derivatives using Gaussian 09, on B3LYP/6-31+G(d,p) as level of theory
Full size figure and legend