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Correlating the inhibitory action of novel benzimidazole derivatives on mild steel corrosion with DFT-based reactivity descriptors and MD simulations

Khiouani Adel, Salah Eddine Hachani, Ilhem Selatnia, Nadia Nebbache, Sofiane Makhloufi

2022Journal of the Indian Chemical Society25 citationsDOI

Topics & Concepts

ChemistryBenzimidazoleElectronegativityComputational chemistryReactivity (psychology)Molecular dynamicsDensity functional theoryProtonationElectrophileMoleculeFukui functionNucleophileBinding energyPhysical chemistryOrganic chemistryPathologyPhysicsIonAlternative medicineNuclear physicsMedicineCatalysisCorrosion Behavior and InhibitionBioactive Compounds and Antitumor AgentsMetal complexes synthesis and properties
Correlating the inhibitory action of novel benzimidazole derivatives on mild steel corrosion with DFT-based reactivity descriptors and MD simulations | Litcius