Structural elucidation, solvent (polar and non-polar) effect on electronic characterization, non-covalent charge interaction nature, topology and pharmacological studies on NLO active -argininium methanesufonate
N. Kanagathara, M. Thirunavukkarasu, S. Selvaraj, A. Ram Kumar, M.K. Marchewka, Jan Janczak
Topics & Concepts
Natural bond orbitalChemistryPolarizabilityHOMO/LUMODensity functional theoryMethanesulfonic acidLone pairMoleculeComputational chemistryMolecular orbitalChemical physicsCrystallographyPhysical chemistryOrganic chemistryNonlinear Optical Materials ResearchCrystallography and molecular interactionsCrystal structures of chemical compounds