biostudies-literatureUnknown313(2)Grabias EA DFT study of U(VI) hydroxy complexes was performed with special attention paid to the [(UO2)3(OH)5(H2O)4-7]+ and [(UO2)4(OH)7(H2O)5-8]+ species. It was established that the ionicity of the U=O bond increased when moving from [(UO2)(H2O)5]2+, [(UO2)2(OH)(H2O)8]3+, [(UO2)2(OH)2(H2O)6]2+, [(UO2)3(OH)5(H2O)4-6]+ to [(UO2)4(OH)7(H2O)5-8]+ species. In both [(UO2Journal of radioanalytical and nuclear chemistry455-465https://www.ebi.ac.uk/biostudies/studies/S-EPMC5533873biostudies-literatureA DFT study of uranyl hydroxyl complexes: structure and stability of trimers and tetramers.PMC5533873Grabias EMajdan MfalseA 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 [(UO2)3(OH)5(H2O)4-7]+ and [(UO2)4(OH)7(H2O)5-8]+ species. It was established that the ionicity of the U=O bond increased when moving from [(UO2)(H2O)5]2+, [(UO2)2(OH)(H2O)8]3+, [(UO2)2(OH)2(H2O)6]2+, [(UO2)3(OH)5(H2O)4-6]+ to [(UO2)4(OH)7(H2O)5-8]+ species. In both [(UO22017-01-01T00:00:00Z20172025-04-26T08:51:52.258Z2019-03-27T02:52:03ZS-EPMC55338732880418710.1007/s10967-017-5305-z