Host–guest complex properties of calix[4]arene derivatives: a DFT study of adsorption and sensing of an anticancer drug, 5-fluorouracil
Numan Yüksel, Mehmet Ferdi Fellah
Topics & Concepts
ChemistryMoleculeCalixareneSulfonylSolventHOMO/LUMODensity functional theoryAdsorptionAnticancer drugComputational chemistryPhysical chemistryStereochemistryOrganic chemistryDrugPsychiatryPsychologyAlkylSupramolecular Chemistry and ComplexesMetal complexes synthesis and propertiesMolecular Sensors and Ion Detection