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The article describes the process of α–amino acid adsorption on the iron of mild steel immersed in 0.01 M H2SO4, this process was modelled using HyperChem 8.0.8 and ZINDO/1. This method reflects the protection against corrosion by chemisorption of α–amino acid on the surface of the metal to form a complex adduct, reliably. The compositions of obtained complexes, the energy of boundary orbitals, a graph depicting the dependence of the charge density on the iron atom and the energy of higherdoi:10.5281/zenodo.1172758 fatcat:6pzysu7zifa6pdl7qft2o25zgm