On the efficiency of barbituric acid and its thio derivatives as aluminium corrosion inhibitors: A computational study
Mahmoud A. A. Ibrahim, Nayra A. M. Moussa, Amna H. M. Mahmoud, Ahmed M. Shawky, Lamiaa A. Mohamed
Topics & Concepts
Thio-ChemistryAluminiumBarbituric acidDensity functional theoryNucleophileCorrosionProtonationElectrophileComputational chemistryElectron affinity (data page)Binding energyMolecular dynamicsAqueous solutionStereochemistryPhysical chemistryMoleculeOrganic chemistryCatalysisAtomic physicsPhysicsIonCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityCrystallography and molecular interactions