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High regioselectivity in the amination reaction of isoquinolinequinone derivatives using conceptual DFT and NCI analysis

Samir Kenouche, Ahlem Belkadi, R. Djebaïli, Nadjib Melkemi

2020Journal of Molecular Graphics and Modelling18 citationsDOI

Topics & Concepts

RegioselectivitySteric effectsChemistryMulliken population analysisAminationPopulationComputational chemistryNucleophileReactivity (psychology)Hydrogen bondCovalent bondDensity functional theoryStereochemistryOrganic chemistryMoleculeCatalysisMedicineAlternative medicineDemographyPathologySociologyChemical Reaction MechanismsComputational Drug Discovery MethodsSynthesis and Catalytic Reactions
High regioselectivity in the amination reaction of isoquinolinequinone derivatives using conceptual DFT and NCI analysis | Litcius