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Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation

Bouzid Gassoumi, A. Mehri, H. Hammami, María Eugenia Castro, Arzu Karayel, Sevil Özkınalı, Francisco J. Meléndez, L. Nouar, F. Madi, Houcine Ghalla, Rafik Ben Chaâbane, Hatem Ben Ouada

2021Materials Chemistry and Physics27 citationsDOI

Topics & Concepts

QuinoneHOMO/LUMOChemistryMoleculeElectron transferDensity functional theoryDerivative (finance)MetalComputational chemistryCrystallographyPhotochemistryStereochemistryOrganic chemistryFinancial economicsEconomicsNonlinear Optical Materials ResearchCrystallography and molecular interactionsBioactive Compounds and Antitumor Agents
Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation | Litcius