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Study of the adsorption behavior of Schiff base-type planar conjugated corrosion inhibitors on metal surfaces using DFT calculations and MD simulations

Yining Deng, K. Liu, Ran Chen, Jinyan Wang, Yue Cui, Yuzeng Zhao, Honghua Ge

2025Journal of Molecular Structure16 citationsDOI

Topics & Concepts

ChemistrySchiff baseConjugated systemAdsorptionPlanarMetalCorrosionComputational chemistryInorganic chemistryPhysical chemistryPolymer chemistryOrganic chemistryPolymerComputer graphics (images)Computer scienceCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals
Study of the adsorption behavior of Schiff base-type planar conjugated corrosion inhibitors on metal surfaces using DFT calculations and MD simulations | Litcius