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Adsorption of self-assembled monolayer (SAM) of different imidazolines derivatives was investigated on Fe2O3 (0 0 0 1) surface with DFT calculations to understand their corrosion inhibition mechanism. Quantum chemistry calculations enable us acquiring a better insight on the nature of imidazoline/surface interactions, i.e. partly covalent bonds, and self-organization of imidazoline ring on the surface...
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