Quantum mechanical, spectroscopic vibrational analysis, NBO, HOMO-LUMO, and molecular docking studies on 2-Chloroquinoline-3-Carboxamide
A. Saral, P.N. Sudha, S. Muthu, B.R. Rajaraman, S. Selvakumari, P. Sangeetha
Topics & Concepts
Natural bond orbitalHOMO/LUMOChemistryDensity functional theoryFukui functionMolecular orbitalMoleculeMulliken population analysisComputational chemistryMolecular vibrationDihedral angleMolecular geometryHydrogen bondOrganic chemistryElectrophileCatalysisNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds