Computational Modeling: Theoretical Predictive Tools for Designing of Potential Organic Corrosion Inhibitors
Dakeshwar Kumar Verma, Ruby Aslam, Jeenat Aslam, M.A. Quraishi, Eno E. Ebenso, Chandrabhan Verma
Topics & Concepts
ChemistryDensity functional theoryCorrosionMolecular dynamicsComputational chemistryMonte Carlo methodMoleculeMetalCorrosion inhibitorQuantum chemicalChemical physicsNanotechnologyOrganic chemistryMaterials scienceMathematicsStatisticsCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityInorganic and Organometallic Chemistry