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A Density Functional Study of the Various Forms of UN 4 O 12 Containing Uranyl Nitrate

✍ Scribed by Berard, Joel J.; Shamov, Grigory A.; Schreckenbach, Georg

Book ID: 127009472
Publisher: American Chemical Society
Year: 2007
Tongue: English
Weight: 350 KB
Volume: 111
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp073688b

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## Abstract The hexavalent dinuclear uranyl dichloride complex [(UO~2~)~2~(μ~2~‐OH)~2~Cl~2~(H~2~O)~4~] was studied computationally with an all‐electron scalar relativistic density functional method. This suggested hydrolysis product of uranyl in the presence of chlorine ions is one of the few polyn