Synthesis, solvent role in TD-DFT (IEFPCM model), fluorescence and reactivity properties, topology and molecular docking studies on sulfathiazole derivative
Subramaniyan Arulmurugan, Jasmine P. Vennila, Helen P. Kavitha, B. R. Venkatraman, N. Elangovan, Natarajan Arumugam, Sakkarapalayam M. Mahalingam, Prabanjan Jayachandran
Topics & Concepts
Natural bond orbitalChemistryHOMO/LUMODensity functional theoryMoleculeIntermolecular forceFukui functionComputational chemistryReactivity (psychology)Physical chemistrySolventOrganic chemistryElectrophileAlternative medicineMedicineCatalysisPathologyNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds