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A DFT study of uranyl hydroxyl complexes: structure and stability of trimers and tetramers
A DFT study of U(VI) hydroxy complexes was performed with special attention paid to the [(UO(2))(3)(OH)(5)(H(2)O)(4–7)](+) and [(UO(2))(4)(OH)(7)(H(2)O)(5–8)](+) species. It was established that the ionicity of the U=O bond increased when moving from [(UO(2))(H(2)O)(5)](2+), [(UO(2))(2)(OH)(H(2)O)(8...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Netherlands
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5533873/ https://www.ncbi.nlm.nih.gov/pubmed/28804187 http://dx.doi.org/10.1007/s10967-017-5305-z |