Combined DFT and Monte Carlo simulation studies of potential corrosion inhibition properties of heterocyclic derivatives with an extended π-System
Yousif Hussein Azeez, Rebaz Obaıd Kareem, Lana Omer Ahmed, Rebaz Anwar Omer, Khdir Ahmed Othman, Damir A. Safin
Topics & Concepts
ChemistryBenzothiazolePyridazineDibenzofuranCorrosionBenzoxazoleComputational chemistryMoleculeMonte Carlo methodOrganic chemistryStatisticsMathematicsCorrosion Behavior and InhibitionSynthesis and Biological EvaluationInorganic and Organometallic Chemistry