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Molecular Modelling Of Compounds Used For Corrosion Inhibition Studies: A Review

Eno E. Ebenso, Chandrabhan Verma, Lukman O. Olasunkanmi, Ekemini D. Akpan, Dakeshwar Kumar Verma, Hassane Lgaz, Lei Guo, Savas Kaya, M. A. Quraishi

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This perspective review features, among others, the use of DFT, QSAR modeling, artificial neural network (ANN) modeling, molecular dynamics simulations and Monte Carlo simulations in modelling organic corrosion inhibitors. It is a compendium of studies on the subject.