Theoretical insights into the substitution effect of phenanthroline derivative ligands on the extraction of Mo (VI)
Simei Zhang, Qun‐Yan Wu, Li‐Yong Yuan, Cong‐Zhi Wang, Jian‐Hui Lan, Zhifang Chai, Zhirong Liu, Wei‐Qun Shi
Topics & Concepts
ChemistryValence (chemistry)PhenanthrolineDensity functional theoryComputational chemistryLigand (biochemistry)Atoms in moleculesExtraction (chemistry)IonMoleculeAtomic orbitalBasis setCrystallographyElectronOrganic chemistryQuantum mechanicsBiochemistryReceptorPhysicsRadioactive element chemistry and processingNuclear Materials and PropertiesExtraction and Separation Processes