Abstract:Inhibition corrosion of metals by using organic compounds has become an unavoidable means. So, in this work, the effect of methylxanthines on copper corrosion inhibition in 1M HNO3 was investigated by mass loss measurements and by two theoretical approaches: Density Functional Theory (DFT) and Quantitative Structure Property Relationship (QSPR.) Quantum chemical calculations based on DFT at the B3LYP/6-31G(d) level permit to establish a correlation between the quantum chemical parameters and the experimental i… Show more
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