Spectroscopic (FT-IR, FT-RAMAN, NMR, UV–Vis) investigations, computational analysis and molecular docking study of 5-bromo-2-hydroxy pyrimidine
B. Chandralekha, Hemamalini Rajagopal, S. Muthu, S. Sevvanthi
Topics & Concepts
ChemistryNatural bond orbitalMoleculeBasis setHOMO/LUMODensity functional theoryChemical shiftRaman spectroscopyComputational chemistryCarbon-13 NMRMolecular geometryPyrimidinePhysical chemistryCrystallographyStereochemistryOrganic chemistryOpticsPhysicsNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds