Exploring molecular structure, spectral features, electronic properties and molecular docking of a novel biologically active heterocyclic compound 4-phenylthiosemicarbazide
R. Arivazhagan, C. Sridevi, A. Prakasam
Topics & Concepts
ChemistryTautomerMoleculeHOMO/LUMOComputational chemistryDensity functional theoryChemical shiftBasis setTheoretical chemistryCarbon-13 NMRRaman spectroscopyChemical stabilityStereochemistryPhysical chemistryOrganic chemistrySupramolecular chemistryGreen chemistryOpticsPhysicsSynthesis and biological activityNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic Compounds