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140 ta ish

Ish: Promising density functional theory methods for predicting the structures of uranyl complexes

  1. Density Functional Studies of Actinyl Aquo Complexes Studied Using Small-Core Effective Core Potentials and a Scalar Four-Component Relativistic Method

    Grigory A. Shamov, Georg Schreckenbach

    Maqola20052 iqtibos
    ABI

  2. Highly selective extraction of the uranyl ion with hydrophobic amidoxime-functionalized ionic liquids via η2 coordination

    Patrick S. Barber, Steven P. Kelley, Robin D. Rogers

    Maqola20122 iqtibos
    ABI

  3. The gas-phase bis-uranyl nitrate complex [(UO2)2(NO3)5]−: Infrared spectrum and structure

    Gary S. Groenewold, Michael J. Van Stipdonk, Jos Oomens +2

    Maqola20112 iqtibos
    ABI

  4. Quantum-Chemical Predictions of p<i>K</i><sub>a</sub>’s of Thiols in DMSO

    Haizhu Yu, Yimeng Yang, Liang Zhang +2

    Maqola20142 iqtibos
    ABI

  5. Uranium(VI) Chemistry in Strong Alkaline Solution: Speciation and Oxygen Exchange Mechanism

    Henry Moll, André Roßberg, Robin Steudtner +3

    Maqola20142 iqtibos
    ABI

  6. “yl”-Oxygen Exchange in Uranyl(VI) Ion: A Mechanism Involving (UO<sub>2</sub>)<sub>2</sub>(μ-OH)<sub>2</sub><sup>2+</sup> via U–O<sub>yl</sub>–U Bridge Formation

    Satoru Tsushima

    Maqola20122 iqtibos
    ABI

  7. Hydrolysis of Uranyl(VI) in Acidic and Basic Aqueous Solutions Using a Noncomplexing Organic Base: A Multivariate Spectroscopic and Statistical Study

    Fabienne Quilès, C. Nguyen-Trung, Cédric Carteret +1

    Maqola20112 iqtibos
    ABI

  8. On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

    Denis Jacquemin, Éric A. Perpète, Ilaria Ciofini +4

    Maqola20102 iqtibos
    ABI

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