Selectivity of 18-crown-6 ether to alkali ions by density functional theory and molecular dynamics simulation
Zhuanfang Jing, Guangguo Wang, Yongquan Zhou, Dengke Pang, Fayan Zhu, Hongyan Liu
Topics & Concepts
Alkali metalChemistryCrown etherAqueous solutionMolecular dynamics18-Crown-6IonIonic bondingSelectivityDensity functional theoryMetal ions in aqueous solutionInorganic chemistryEtherPhase (matter)Physical chemistryComputational chemistryOrganic chemistryCatalysisMolecular Sensors and Ion DetectionSupramolecular Chemistry and ComplexesDNA and Nucleic Acid Chemistry