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Evaluating electronic structure of quinazolinone and pyrimidinone molecules for its corrosion inhibition effectiveness on target specific mild steel in the acidic medium: A combined DFT and MD simulation study

Materials ScienceInorganic ChemistryChemical EngineeringCorrosion ProtectionEngineeringCombined DftCorrosion Inhibition EffectivenessCorrosionComputational ChemistryChemistryElectronic StructureCorrosion ResistanceElectrochemistryCorrosion Inhibition