Imidazole derivatives as corrosion inhibitors for copper: A DFT and reactive force field study
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DOI: 10.1016/j.corsci.2020.108724
Abstract: Abstract We have investigated the corrosion inhibition mechanisms of imidazole, adenine, purine and 6-benzylaminopurine for copper using density functional theory (DFT) and reactive force fields (ReaxFF). The computed quantum chemical descriptors and interaction energy magnitudes… read more here.
Keywords: derivatives corrosion; dft reactive; imidazole derivatives; corrosion ... See more keywords