Computational Study of Some Heterocyclic Compounds as Anti-corrosion Agents for Aluminum using DFT Method
Manal Ahmed Erteeb, Farah Mahmoud & Abdulsatar S. kareem · International Research Journal of Pure and Applied Chemistry · 2022
DFT Calculations were performed on Oxazole, Pyrazole, Imidazole, Isoxazole, Thiazole and Isothiazole as corrosion inhibitors for Al with full optimization of geometries in DFT-B3LYP/6-31 G*Level (d, P( to find a relation between the molecular structure and corrosion inhibition....
Open access
Research Article
10.9734/irjpac/2022/v23i430469