{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["313(2)"],"submitter":["Grabias E"],"pubmed_abstract":["A DFT study of U(VI) hydroxy complexes was performed with special attention paid to the [(UO<sub>2</sub>)<sub>3</sub>(OH)<sub>5</sub>(H<sub>2</sub>O)<sub>4-7</sub>]<sup>+</sup> and [(UO<sub>2</sub>)<sub>4</sub>(OH)<sub>7</sub>(H<sub>2</sub>O)<sub>5-8</sub>]<sup>+</sup> species. It was established that the ionicity of the U=O bond increased when moving from [(UO<sub>2</sub>)(H<sub>2</sub>O)<sub>5</sub>]<sup>2+</sup>, [(UO<sub>2</sub>)<sub>2</sub>(OH)(H<sub>2</sub>O)<sub>8</sub>]<sup>3+</sup>, [(UO<sub>2</sub>)<sub>2</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>6</sub>]<sup>2+</sup>, [(UO<sub>2</sub>)<sub>3</sub>(OH)<sub>5</sub>(H<sub>2</sub>O)<sub>4-6</sub>]<sup>+</sup> to [(UO<sub>2</sub>)<sub>4</sub>(OH)<sub>7</sub>(H<sub>2</sub>O)<sub>5-8</sub>]<sup>+</sup> species. In both [(UO<sub>2</sub>"],"journal":["Journal of radioanalytical and nuclear chemistry"],"pagination":["455-465"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC5533873"],"repository":["biostudies-literature"],"pubmed_title":["A DFT study of uranyl hydroxyl complexes: structure and stability of trimers and tetramers."],"pmcid":["PMC5533873"],"pubmed_authors":["Grabias E","Majdan M"],"additional_accession":[]},"is_claimable":false,"name":"A DFT study of uranyl hydroxyl complexes: structure and stability of trimers and tetramers.","description":"A DFT study of U(VI) hydroxy complexes was performed with special attention paid to the [(UO<sub>2</sub>)<sub>3</sub>(OH)<sub>5</sub>(H<sub>2</sub>O)<sub>4-7</sub>]<sup>+</sup> and [(UO<sub>2</sub>)<sub>4</sub>(OH)<sub>7</sub>(H<sub>2</sub>O)<sub>5-8</sub>]<sup>+</sup> species. It was established that the ionicity of the U=O bond increased when moving from [(UO<sub>2</sub>)(H<sub>2</sub>O)<sub>5</sub>]<sup>2+</sup>, [(UO<sub>2</sub>)<sub>2</sub>(OH)(H<sub>2</sub>O)<sub>8</sub>]<sup>3+</sup>, [(UO<sub>2</sub>)<sub>2</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>6</sub>]<sup>2+</sup>, [(UO<sub>2</sub>)<sub>3</sub>(OH)<sub>5</sub>(H<sub>2</sub>O)<sub>4-6</sub>]<sup>+</sup> to [(UO<sub>2</sub>)<sub>4</sub>(OH)<sub>7</sub>(H<sub>2</sub>O)<sub>5-8</sub>]<sup>+</sup> species. In both [(UO<sub>2</sub>","dates":{"release":"2017-01-01T00:00:00Z","publication":"2017","modification":"2025-04-26T08:51:52.258Z","creation":"2019-03-27T02:52:03Z"},"accession":"S-EPMC5533873","cross_references":{"pubmed":["28804187"],"doi":["10.1007/s10967-017-5305-z"]}}