Density functional theory calculations, structural and spectroscopic characterization, and solvent-dependent HOMO-LUMO studies of 2-nitro-4-methylanilinium benzenesulfonate
E. Mohanapriya, S. Elangovan, N. Kanagathara, M.K. Marchewka, Jan Janczak, P. Revathi
Topics & Concepts
ChemistryDensity functional theoryHOMO/LUMONitroCharacterization (materials science)SolventComputational chemistrySolvent effectsOrganic chemistryNanotechnologyMoleculeAlkylMaterials scienceFree Radicals and AntioxidantsNonlinear Optical Materials ResearchOrganic Chemistry Cycloaddition Reactions