Imidazole derivatives as corrosion inhibitors for copper: A DFT and reactive force field study
Dharmendr Kumar, Vinay Jain, Beena Rai
Topics & Concepts
ReaxFFImidazoleDensity functional theoryCorrosionCopperCorrosion inhibitorMoleculeComputational chemistryChemistryErosion corrosion of copper water tubesMetalAdsorptionForce field (fiction)Inorganic chemistryPhysical chemistryMolecular dynamicsStereochemistryOrganic chemistryInteratomic potentialArtificial intelligenceComputer scienceCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityCrystallography and molecular interactions