Electronic properties of solvents (Water, Benzene, Ethanol) using IEFPCM model, spectroscopic exploration with drug likeness and assessment of molecular docking on 1-Octanesulfonic Acid Sodium Salt
P. Sangeetha, S. Mullainathan, L. Rajasekaran, S. Muthu, Ahmad Irfan, A. Saral
Topics & Concepts
ChemistryNatural bond orbitalIntermolecular forceComputational chemistryHydrogen bondMoleculeHOMO/LUMOMolecular dynamicsDensity functional theoryPhysical chemistryOrganic chemistryNonlinear Optical Materials ResearchFree Radicals and AntioxidantsPhotochemistry and Electron Transfer Studies