Computational study for the electrophilic reactivity prediction of crown ethers
Yongpan Tian, Wenwen Chen, Chengcheng Wang, Liang Xu, Qingmin Meng, Bihai Tong, Zhuo Zhao
Topics & Concepts
ChemistryElectrophileReactivity (psychology)Fukui functionComputational chemistryLone pairMolecular orbitalDensity functional theoryNucleophileSubstitution reactionElectrophilic aromatic substitutionReagentRing (chemistry)MoleculePhysical chemistryOrganic chemistryCatalysisMedicinePathologyAlternative medicineCrystallography and molecular interactionsThermal and Kinetic AnalysisInorganic and Organometallic Chemistry