Molecular Structure and Density Functional Theory Investigation Corrosion Inhibitors of Some Oxadiazoles
Hiwa Mohammad Qadr, Dyari Mustafa Mamand
Topics & Concepts
ElectronegativityCorrosionHOMO/LUMOMetalMoleculeDensity functional theoryComputational chemistryChemistryMolecular orbitalIonization energyMolecular dynamicsChemical physicsLigand (biochemistry)IonizationMaterials scienceOrganic chemistryIonBiochemistryReceptorCorrosion Behavior and InhibitionInorganic and Organometallic ChemistryMetal and Thin Film Mechanics