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ChemInform Abstract: A Statistical Study of Density and Packing Variations Among Crystalline Isomers.

โœ Scribed by Jack D. Dunitz; Giuseppe Filippini; Angelo Gavezzotti


Publisher
John Wiley and Sons
Year
2000
Weight
31 KB
Volume
31
Category
Article
ISSN
0931-7597

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ChemInform Abstract: Theoretical Study o
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Theoretical Study of Stable trans and cis Isomers in [UO 2 (OH) 4 ] 2- Using Relativistic Density Functional Theory. -Relativistic DFT calculations for uranyl(VI) tetrahydroxide yield a total of nine stable structures possessing either a linear (trans-uranyl) or a bent uranyl bond (cis-uranyl). The