Quantum computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on sulfanilic acid: An anti-bacterial drug
Aysha Fatima, Ghazala Khanum, Sandhya Savita, Km. Pooja, Indresh Verma, Nazia Siddiqui, Saleem Javed
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryExcited stateSulfanilic acidFukui functionMoleculeIntermolecular forceComputational chemistryAtoms in moleculesBasis setAtomic physicsOrganic chemistryElectrophilePhysicsCatalysisNonlinear Optical Materials ResearchCrystallography and molecular interactionsMetal complexes synthesis and properties