A comparative density functional theory (DFT) and molecular dynamics study on Natamycin and Cefmetazole as effective corrosion inhibitor for mild steel: Electronic properties and adsorption behavior
F. E. Abeng, Abhinay Thakur, Valentine Chikaodili Anadebe, Eno E. Ebenso
Topics & Concepts
ChemistryAdsorptionCefmetazoleDensity functional theoryMolecular dynamicsTime-dependent density functional theoryComputational chemistryPhysical chemistryBiochemistryAntibioticsCephalosporinCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals