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Cover Image, Volume 117, Issue 22
Publication year - 2017
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25278
Subject(s) - cover (algebra) , extraction (chemistry) , volume (thermodynamics) , ion , computer science , image (mathematics) , chemistry , physics , thermodynamics , artificial intelligence , chromatography , organic chemistry , engineering , mechanical engineering
Efficient extraction of a radionuclide (Sr 2+ ) in the presence of the similar ion Ca 2+ is a major challenge in nuclear waste management. In article e25418, Bandyopadhyay et al., using free energy corrected DFT, propose a two‐step Sr 2+ extraction methodology in nitrate media in the presence of Ca 2+ , with the help of a new‐generation multitopic ion pair receptor. The calculated ion‐exchange free energies suggest that once [Sr(NO 3 ) 2 ] is extracted in organic media, the receptor's high affinity toward K + can be used to back‐strip Sr 2+ to the aqueous phase. Thus, the proposed receptor is suggested to be a promising material for Sr 2+ ion extraction. (DOI: 10.1002/qua.25418 ).