Quantum Chemical, experimental spectroscopic, Hirshfeld surface and molecular docking studies of the anti-microbial drug Sulfathiazole
Aysha Fatima, Km. Pooja, Sandhya Savita, Meenakshi Singh, Indresh Verma, Nazia Siddiqui, Saleem Javed
Topics & Concepts
ChemistryNatural bond orbitalChemical shiftMoleculeComputational chemistryHOMO/LUMOMolecular geometryBond lengthCarbon-13 NMRDensity functional theoryBasis setIntermolecular forcePhysical chemistryStereochemistryOrganic chemistryNonlinear Optical Materials ResearchSynthesis and biological activityBioactive Compounds and Antitumor Agents