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ChemInform Abstract: DFT Study of Uranyl Peroxo Complexes with H2O,F‐, OH‐, CO32‐, and NO3‐. |
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| Authors: | Samuel O Odoh Georg Schreckenbach |
| Abstract: | Structural and electronic properties of various uranyl peroxo complexes are examined using scalar relativistic DFT calculations considering only complexes in which the peroxo ligands are coordinated to the uranyl moiety in a bidentate mode. |
| Keywords: | theory structure uranium U oxygen O |