{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,11]],"date-time":"2026-10-11T03:12:43Z","timestamp":1791688363167,"version":"4.3.4"},"reference-count":91,"publisher":"Royal Society of Chemistry (RSC)","issue":"6","license":[{"start":{"date-parts":[[2020,1,17]],"date-time":"2020-01-17T00:00:00Z","timestamp":1579219200000},"content-version":"am","delay-in-days":381,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<p>\n                    Of particular interest within the +6 uranium complexes is the linear uranyl(\n                    <sc>vi<\/sc>\n                    ) cation and it forms numerous coordination complexes in solution and exhibits incongruent redox behavior depending on coordinating ligands. This DFT study predicts VI\/V reduction potentials of a range of uranyl(\n                    <sc>vi<\/sc>\n                    ) complexes in non-aqueous solutions within \u223c0.10\u22120.20 eV of experiment.\n                  <\/p>","DOI":"10.1039\/c8cp05412f","type":"journal-article","created":{"date-parts":[[2019,1,17]],"date-time":"2019-01-17T09:05:16Z","timestamp":1547715916000},"page":"3227-3241","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":15,"title":["Density functional theory (DFT) calculations of VI\/V reduction potentials of uranyl coordination complexes in non-aqueous solutions"],"prefix":"10.1039","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8638-9739","authenticated-orcid":false,"given":"Krishnamoorthy","family":"Arumugam","sequence":"first","affiliation":[{"name":"School of Chemistry"},{"name":"The University of Manchester"},{"name":"Manchester M13 9PL"},{"name":"UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Neil A.","family":"Burton","sequence":"additional","affiliation":[{"name":"School of Chemistry"},{"name":"The University of Manchester"},{"name":"Manchester M13 9PL"},{"name":"UK"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2019]]},"reference":[{"key":"C8CP05412F-(cit1)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3542","DOI":"10.1021\/ic0201708","volume":"41","author":"Morris","year":"2002","journal-title":"Inorg. 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