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Role of Ligand Straining in Complexation of Eu(3+)–Am(3+) Ions by TPEN and PPDEN, Scalar Relativistic DFT Exploration in Conjunction with COSMO-RS
[Image: see text] To search for new ligands suitable for the separation of minor actinides (MA) from lanthanides (Ln) in nuclear waste reprocessing, theoretical (density functional theory) studies were carried out on the complexation (structures, bonding, and thermodynamics) of La(3+), Sm(3+), Eu(3+...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644696/ https://www.ncbi.nlm.nih.gov/pubmed/31458031 http://dx.doi.org/10.1021/acsomega.8b00933 |