Computational Simulation and Statistical Analysis on the Relationship Between Corrosion Inhibition Efficiency and Molecular Structure of Some Phenanthroline Derivatives on Mild Steel Surface

By N. Obi-Egbedi, I. Obot, M. El-Khaiary, S. Umoren, E. Ebenso. International Journal of Electrochemical Science, 2011

153 citations recorded by the source corpus.

1 Department of Chemistry, University of Ibadan, Ibadan, Nigeria. 2 Department of Chemistry, Faculty of Science, University of Uyo, P.M.B 1017, Uyo, Nigeria. 3 Chemical Engineering Department, Faculty of Engineering, Alexandria University, El-Hadara, Alexandria 21544, Egypt 4 Department of Chemistry, School of Mathematical & Physical Sciences, North-West University (Mafikeng Campus), Private Bag X2046, Mmabatho 2735, South Africa. * E-mail: proffoime@yahoo.com

Subfields: Materials Chemistry, Organic Chemistry, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/78f81bb7010b681f8e5b8efefbc21af9447852c7

Citations in the corpus

• Recent developments in sustainable corrosion inhibitors: design, performance and industrial scale applications (2021, unknown): “5,61,62 67 Recently, several computational methods, especially density functional theory (DFT), molecular dynamics (MD) and Monte Carlo (MC) simulations, have emerged as powerful computational chemistry tools for corrosion monitoring.”