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Computational molecular-level prediction of heterocyclic compound–metal surface interfacial behavior

Abdelkarim Chaouiki, Da Han, Young Gun Ko

2022Journal of Colloid and Interface Science52 citationsDOI

Topics & Concepts

AdsorptionMolecular dynamicsMoleculeDensity functional theoryComputational chemistryMethyleneChemistryMetalCorrosionIntermolecular forcePhysical chemistryMaterials scienceChemical physicsChemical engineeringOrganic chemistryEngineeringCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityElectrochemical Analysis and Applications
Computational molecular-level prediction of heterocyclic compound–metal surface interfacial behavior | Litcius