Hydrogen adsorption and sensing properties of p-tert-butylcalix[4]arene and its transition metal complexes: A DFT study
Numan Yüksel, Mehmet Ferdi Fellah
Topics & Concepts
van der Waals forceAdsorptionDensity functional theoryMoleculeChemistryHydrogenMetalCalixareneTransition metalHydrogen bondPhysical chemistryComputational chemistryHydrogen storageCrystallographyInorganic chemistryOrganic chemistryCatalysisCrystallography and molecular interactionsMolecular Sensors and Ion DetectionSupramolecular Chemistry and Complexes