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Physical Chemistry Chemical Physics : PCCP|July 13, 2021
Molecular modelling of compounds used for corrosion inhibition studies: a reviewEno E Ebenso, Chandrabhan Verma, Lukman O Olasunkanmi, et al.
RSC Advances|April 15, 2022
Chromeno-carbonitriles as corrosion inhibitors for mild steel in acidic solution: electrochemical, surface and computational studiesTaiwo W Quadri, Lukman O Olasunkanmi, Ekemini D Akpan, et al.
Journal of Molecular Modeling|August 11, 2022
Predicting protection capacities of pyrimidine-based corrosion inhibitors for mild steel/HCl interface using linear and nonlinear QSPR modelsTaiwo W Quadri, Lukman O Olasunkanmi, Omolola E Fayemi, et al.
Journal of Molecular Graphics & Modelling|October 22, 2025
Computational insights into the corrosion inhibition mechanism of hyoscyamine and zonisamide on mild steel: A combined DFT, MD, and NCI analysisValentine Chikaodili Anadebe, Collince Omondi Awere, Abhinay Thakur, et al.
Molecules (Basel, Switzerland)|August 22, 2015
Porphyrins as Corrosion Inhibitors for N80 Steel in 3.5% NaCl Solution: Electrochemical, Quantum Chemical, QSAR and Monte Carlo Simulations StudiesAmbrish Singh, Yuanhua Lin, Mumtaz A Quraishi, et al.
Scientific Reports|February 19, 2026
Anti-HCV NS2-3 potential of selected plant bioactive compounds revealed by docking, simulation and DFTClement I Mboto, Elizabeth N Mbim, Uwem O Edet, et al.
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