Pyridinedicarboxylic Acid Diamides as Selective Ligands for Extraction and Separation of Trivalent Lanthanides and Actinides: DFT Study

Solvent Extraction and Ion Exchange

Volumn 32, Issue 5, 2014, Pages 508-528

  Ustynyuk, Yuri A ^a   Gloriozov, Igor P ^a   Kalmykov, Stepan N ^a   Mitrofanov, Artyom A ^a   Babain, Vassily A ^b,c   Alyapyshev, Mikhail Yu ^b,c   Ustynyuk, Nickolay A ^d  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b KHLOPIN RADIUM INSTITUTE   (Russian Federation)

^c ITMO UNIVERSITY   (Russian Federation)

^d A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

Author keywords

actinides lanthanides separation; DFT modelling; polydental N,O donor ligands

Indexed keywords

ACTINIDES; AMIDES; ATOMS; BINDING ENERGY; EUROPIUM; EXTRACTION; NITROGEN; ORGANIC ACIDS; PYRIDINE; QUANTUM CHEMISTRY; SUBSTITUTION REACTIONS; SUPERCOMPUTERS;

CALCULATION RESULTS; FULL-ELECTRON BASIS SET; HETEROCYCLIC LIGANDS; O-DONOR; PYRIDINEDICARBOXYLIC ACIDS; SEPARATION SELECTIVITY; SUPERCOMPUTER SIMULATIONS; TRIVALENT LANTHANIDES;

LIGANDS;

EID: 84902820216     PISSN: 07366299     EISSN: 15322262     Source Type: Journal    
DOI: 10.1080/07366299.2014.915666     Document Type: Article

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