Litcius/Paper detail

Density functional theory and molecular dynamics simulation of the corrosive particle diffusion in pyrimidine and its derivatives films

I.B. Obot, Ashraf A. Bahraq, Aeshah H. Alamri

2022Computational Materials Science53 citationsDOI

Topics & Concepts

Density functional theoryMolecular dynamicsChemistryDiffusionMoleculeCorrosionComputational chemistryPyrimidinePhysical chemistryThermodynamicsChemical physicsOrganic chemistryStereochemistryPhysicsCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityPetroleum Processing and Analysis
Density functional theory and molecular dynamics simulation of the corrosive particle diffusion in pyrimidine and its derivatives films | Litcius