Computational evaluation on molecular structure (Monomer, Dimer), RDG, ELF, electronic (HOMO-LUMO, MEP) properties, and spectroscopic profiling of 8-Quinolinesulfonamide with molecular docking studies
Fazilath Basha A, F. Liakath Ali Khan, S. Muthu, M. Raja
Topics & Concepts
ChemistryHOMO/LUMOComputational chemistryMolecular orbitalDimerDensity functional theoryMonomerChemical physicsMoleculeOrganic chemistryPolymerNonlinear Optical Materials ResearchSynthesis and biological activityFree Radicals and Antioxidants