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Molecular structure spectroscopic Elucidation, IEFPCM solvation (UV–Vis, MEP, FMO, NBO, NLO), molecular docking and biological assessment studies of lepidine (4-Methylquinoline)

A. Saral, P.N. Sudha, S. Muthu, S. Sevvanthi, Ahmad Irfan

2021Journal of Molecular Liquids63 citationsDOI

Topics & Concepts

Natural bond orbitalChemistryComputational chemistryMolecular orbitalSolvationMoleculeDocking (animal)ADMEDensity functional theoryHOMO/LUMOFukui functionBasis setOrganic chemistryElectrophileBiochemistryCatalysisMedicineNursingIn vitroNonlinear Optical Materials ResearchFree Radicals and AntioxidantsSynthesis and biological activity
Molecular structure spectroscopic Elucidation, IEFPCM solvation (UV–Vis, MEP, FMO, NBO, NLO), molecular docking and biological assessment studies of lepidine (4-Methylquinoline) | Litcius