... on theory (Fukui indices, condensed density functional theory and molecular dynamic simulation) and experiments (electrochemical, gravimetry and surface morphology examinations). Findings Theoretical evaluations permitted the description of the adsorption characteristics, and molecular interactions...

... its application in the corrosion protection of mild steel in 5 M H₂SO₄ and 5 M HCl. Design/methodology/approach Phytochemical screening and Fourier transform infrared spectroscopy analysis were used to characterize the methanolic extract of the plant. Gravimetry, gasometry...