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Russian Chemical Reviews, 2016, Volume 85, Issue 9, Pages 917–942
DOI: https://doi.org/10.1070/RCR4588 (Mi rcr4127) 		 
This article is cited in 53 scientific papers (total in 53 papers)

Quantum chemical modelling of extraction separation of minor actinides and lanthanides: the state of the art

Yu. A. Ustynyuka, M. Yu. Alyapyshevbc, V. A. Babainc, N. A. Ustynyukd

a Lomonosov Moscow State University, Faculty of Chemistry
b RPA 'V.G. Khlopin Radium Institute', St. Petersburg
c St. Petersburg State University of Information Technologies, Mechanics and Optics
d A. N. Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences, Moscow
English full-text Citations (53)
DOI: https://doi.org/10.1070/RCR4588
Abstract: The review deals with the results of theoretical modelling of the structures and properties of actinide and lanthanide complexes with donor organic ligands used as selective extractants for separation of these elements in liquid high-level waste processing in the nuclear fuel cycle. The advantages and drawbacks of various types of ligands are discussed, including phosphinodithioic acids, tri- and polydentate ligands with $\mathrm O$-donor centres, ligands based on $\mathrm N$-heterocycles with softer $\mathrm N$-donor centres and amides of $\mathrm N$-heterocyclic carboxylic acids, which contain both types of donor atoms. A critical analysis of the potential of modern quantum chemistry methods in establishing structure–extraction behaviour relationships for various types of ligands is presented.
The bibliography includes 119 references.
Funding agency Grant number
State Atomic Energy Corporation ROSATOM 6790Д
5/5974Д
Фонд "Национальное интеллектуальное развитие"
Received: 15.07.2015
Russian version:
Uspekhi Khimii, 2016, Volume 85, Issue 9, Pages 917–942
DOI: https://doi.org/10.1070/RCR4588
Bibliographic databases:
Document Type: Article
Language: English
Original paper language: Russian
Citation: Yu. A. Ustynyuk, M. Yu. Alyapyshev, V. A. Babain, N. A. Ustynyuk, “Quantum chemical modelling of extraction separation of minor actinides and lanthanides: the state of the art”, Usp. Khim., 85:9 (2016), 917–942; Russian Chem. Reviews, 85:9 (2016), 917–942
Citation in format AMSBIB
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\paper Quantum chemical modelling of extraction separation of minor actinides and lanthanides: the state of the art
\jour Usp. Khim.
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\pages 917--942
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\jour Russian Chem. Reviews
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\vol 85
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    • This publication is cited in the following 53 articles:
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