Regio- and chemoselective synthesis of new isoxazolyl-linked benzimidazolones via 1,3-dipolar cycloaddition: Characterization, corrosion studies, density functional theory, and Monte Carlo simulations
Walid Ettahiri, Mohamed Adardour, Elhachmia Ech-chihbi, S. Dalbouha, B. Hammouti, Zakia Rais, A. Baouid, Mustapha Taleb
Topics & Concepts
Density functional theory1,3-Dipolar cycloadditionCharacterization (materials science)CycloadditionCorrosionMonte Carlo methodComputational chemistryDipoleChemistryMaterials scienceOrganic chemistryNanotechnologyMathematicsCatalysisStatisticsMulticomponent Synthesis of HeterocyclesSynthesis and biological activitySynthesis and Biological Evaluation