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Evaluation of electronic properties in different solvents, spectroscopic exposition (FT-IR, FT-Raman), and molecular docking studies of 5-Chloro-2-hydroxypyridine - insulysin inhibitor

S. Selvakumari, C. Venkataraju, S. Muthu, Ahmad Irfan, A. Saral

2021Journal of Molecular Liquids17 citationsDOI

Topics & Concepts

HOMO/LUMONatural bond orbitalComputational chemistryChemistryFukui functionBasis setMolecular orbitalMolecular geometryMoleculeMulliken population analysisHydrogen bondPhysical chemistryDensity functional theoryOrganic chemistryElectrophileCatalysisNonlinear Optical Materials ResearchSynthesis and biological activityMetal complexes synthesis and properties
Evaluation of electronic properties in different solvents, spectroscopic exposition (FT-IR, FT-Raman), and molecular docking studies of 5-Chloro-2-hydroxypyridine - insulysin inhibitor | Litcius