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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
  • Table 1. chemical structures of compounds
  • Table 2. Quantum-chemical parameters for the neutral form of the inhibitors obtained with the DFT at B3LYP/6-31 + G(d,p) level of theory