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Synthesis, structure, NBO, Hirshfeld surface, NMR, HOMO-LUMO, UV, photoluminescence, z scan, vibrational and thermal analysis of piperazinedi-ium tetrakis (μ2‑chloro)-diaqua-dichloro-di-cadmium single crystal

Nimmy L. John, Sunila Abraham, Jesby George, P. Karuppasamy, M. Senthilpandian, P. Ramasamy, G. Vinitha

2022Journal of Molecular Structure22 citationsDOI

Topics & Concepts

ChemistryNatural bond orbitalHyperpolarizabilityHOMO/LUMOCrystallographyIntermolecular forceHydrogen bondBasis setSingle crystalDensity functional theoryCrystal structurePhysical chemistryMoleculeComputational chemistryPolarizabilityOrganic chemistryNonlinear Optical Materials ResearchCrystal structures of chemical compoundsSynthesis and biological activity
Synthesis, structure, NBO, Hirshfeld surface, NMR, HOMO-LUMO, UV, photoluminescence, z scan, vibrational and thermal analysis of piperazinedi-ium tetrakis (μ2‑chloro)-diaqua-dichloro-di-cadmium single crystal | Litcius