Complexation mechanism of crown ethers with rubidium and cesium ions using density functional theory
Ling Wang, Yanhang Xiong, Xiaowei Zhou, Liang Xu, Yongpan Tian, Zhuo Zhao
Topics & Concepts
ChemistryRubidiumDensity functional theoryCrown etherCaesiumElectrophile18-Crown-6Gibbs free energyIonComputational chemistryPicrateInorganic chemistryMedicinal chemistryPhysical chemistryOrganic chemistryPotassiumCatalysisQuantum mechanicsPhysicsChemical Synthesis and CharacterizationRadioactive element chemistry and processingCrystallography and molecular interactions