Molecular structure and mild steel/HCl corrosion inhibition of 4,5-Dicyanoimidazole: Vibrational, electrochemical and quantum mechanical calculations
Ahmed M. Abuelela, Mahmoud A. Bedair, Wajdi M. Zoghaib, Lee D. Wilson, Tarek A. Mohamed
Topics & Concepts
ChemistryNatural bond orbitalElectronegativityMolecular orbitalDensity functional theoryIonization energyBasis setComputational chemistryElectrochemistryRaman spectroscopyHOMO/LUMOBond lengthPhysical chemistryMoleculeAnalytical Chemistry (journal)IonizationElectrodeOrganic chemistryOpticsPhysicsIonCorrosion Behavior and InhibitionNonlinear Optical Materials ResearchInorganic and Organometallic Chemistry