DFT computation, Hirshfeld surfaces analysis, non-linear optical and spectroscopic investigations of a novel non-centrosymmetric organic –inorganic hybrid material [(CH3CH2)4N]HSeO4(H2SeO4)2
Ikram Dhouib, Dhouha Abid, A. Ouasri, Philippe Guionneau, Zakaria Elaoud
Topics & Concepts
HyperpolarizabilityMonoclinic crystal systemChemistryPolarizabilityCrystallographyCrystal (programming language)Molecular geometryCrystal structureRaman spectroscopyBasis setSingle crystalAnalytical Chemistry (journal)Density functional theoryComputational chemistryMoleculeOpticsOrganic chemistryPhysicsProgramming languageComputer scienceNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallographyCrystal Structures and Properties