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RESEARCH PAPER · Inorganic Chemistry · 2007

EXAFS Investigation of U(VI), U(IV), and Th(IV) Sulfato Complexes in Aqueous Solution

Christoph Hennig, Katja Schmeide, Vinzenz Brendler, Henry Moll, Satoru Tsushima, Andreas C. Scheinost

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EXAFS Investigation of U(VI), U(IV), and Th(IV) Sulfato Complexes in Aqueous SolutionOriginalRisk factors for anastomotic leakage after resection for rectal cancer.29EXAFS Investigation of U(VI), U(IV), and Th(IV) Sulfato Complexes in Aqueous Solution.0Speciation of Uranyl Nitrato Complexes in Acetonitrile and in the Ionic Liquid 1‐Butyl‐3‐methylimidazolium Bis(trifluoromethylsulfonyl)imide68Stoichiometry and Structure of Uranyl(VI) Hydroxo Dimer and Trimer Complexes in Aqueous Solution83Coordination of U(IV) and U(VI) sulfate hydrate in aqueous solution3The actinides0Structural Determination of Individual Chemical Species in a Mixed System by Iterative Transformation Factor Analysis-Based X-ray Absorption Spectroscopy Combined with UV−Visible Absorption and Quantum Chemical Calculation40Coordination of a Uranium(IV) Sulfate Monomer in an Aqueous Solution and in the Solid State41Stoichiometries and Thermodynamic Stabilities for Aqueous Sulfate Complexes of U(VI)70Species Distribution and Coordination of Uranyl Chloro Complexes in Acetonitrile49Hydrolysis and Dimerization of Th 4+ Ion23Electrochemical and Complexation Behavior of Neptunium in Aqueous Perchlorate and Nitrate Solutions115Thermodynamic Model for ThO2(am) Solubility in Alkaline Silica Solutions17Spectrophotometric and calorimetric studies of U(VI) complexation with sulfate at (25 to 70) °C24The relationship of monodentate and bidentate coordinated uranium(VI) sulfate in aqueous solution38Spectrophotometric and calorimetric studies of Np(V) complexation with sulfate at 10–70°c8Sorption of Th(IV) onto Iron Corrosion Products: EXAFS Study42Photochemical Reduction of UO22+ in the Presence of Alcohol Studied by Density Functional Theory Calculations42Structure of early actinides(V) in acidic solutions48Speciation and Structural Study of U(IV) and -(VI) in Perchloric and Nitric Acid Solutions114Uranium Uptake by Hectorite and Montmorillonite: A Solution Chemistry and Polarized EXAFS Study72Effects of the first hydration sphere and the bulk solvent on the spectra of the f 2 isoelectronic actinide compounds: U 4+ , NpO 2 + , and PuO 2 2+37Nanoscale UO2 and novel complex U(IV)-sulphate phase formation from electrolytically reduced uranyl sulphate solutions17Uranium Chemistry in Soils and Sediments28Double photoexcitation of 2p and 4f electrons in curium6Fertilizer‐Borne Trace Element Contaminants in Soils23Quantum Chemical and Molecular Dynamics Study of the Coordination of Th(IV) in Aqueous Solvent59Binary and ternary uranium(vi) humate complexes studied by attenuated total reflection Fourier-transform infrared spectroscopy26Nanoscale Chemistry of Uranyl Selenates1On the “yl” bond weakening in uranyl(VI) coordination complexes72Study of the Speciation in the System UO2 2+–SO4 2––H2O by Means of the UV-VIS Spectrophotometry2Identification of the uranium speciation in an underground acid mine drainage environment51Ab Initio X-ray Absorption Spectroscopy Study of the Solvation Structure of Th(IV), U(IV), and Np(IV) in Aqueous Solution32The crystal chemistry of four thorium sulfates28Structural Periodicity in Plutonium(IV) Sulfates29Synthesis and Characterization of Thorium(IV) Sulfates39TRLFS study on the speciation of uranium in seepage water and pore water of heavy metal contaminated soil11Speciation of Uranium in Seepage and Pore Waters of Heavy Metal-Contaminated Soil2Unprecedented Bidentate Coordination of the Uranyl Cation by the Chromate Anion in the Structure of [(CH3)2CHNH3]2[UO2(CrO4)2]21Structure and stability range of a hexanuclear Th(iv)–glycine complex83Syntheses and crystal structures of two novel alkaline uranyl chromates A2(UO2)(CrO4)2 (A=Rb, Cs) with bidentate coordination mode of uranyl ions by chromate anions20Sructural parameters of the nearest surrounding of tri- and tetravalent actinide ions in aqueous solutions of actinide salts9Structural Periodicity in the Coordination Chemistry of Aqueous Pu(IV) Sulfates9Hydration structures of U(III) and U(IV) ions from ab initio molecular dynamics simulations19Uranium(IV) Sulfates: Investigating Structural Periodicity in the Tetravalent Actinides26Complexation and thermodynamics of Cm( iii ) at high temperatures: the formation of [Cm(SO 4 ) n ] 3−2n (n = 1, 2, 3) complexes at T = 25 to 200 °C17Solution and Solid-State Structural Chemistry of Actinide Hydrates and Their Hydrolysis and Condensation Products372Environmental Speciation of Actinides423Solid-state properties and colloidal stability of thorium(IV)–silica nanoparticles41Further insights in the ability of classical nonadditive potentials to model actinide ion–water interactions35Uranyl complexation with selenate at variable temperatures studied by affinity capillary electrophoresis14Crystal Chemistry of Uranium Oxides and Minerals27Formic acid interaction with the uranyl(vi) ion: structural and photochemical characterization31Investigation of the extraction complexes of palladium(ii) with novel thiodiglycolamide and dithiodiglycolamide ligands by EXAFS and computational methods18Reactivity of HTcO4 with methanol in sulfuric acid: Tc-sulfate complexes revealed by XAFS spectroscopy and first principles calculations26Uranium(VI) Interactions with Mackinawite in the Presence and Absence of Bicarbonate and Oxygen54Structure and dynamics of the Th4+-ion in aqueous solution – An ab initio QMCF-MD study24Speciation of Technetium in Sulfuric Acid/Hydrogen Sulfide Solutions8The sequestration of U(VI) on functional β-cyclodextrin-attapulgite nanorods36Changing Hafnium Speciation in Aqueous Sulfate Solutions: A High-Energy X-ray Scattering Study46Exploring Actinide Materials Through Synchrotron Radiation Techniques104Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO2Cl42–35Unanticipated favoured adsorption affinity of Th( iv ) ions towards bidentate carboxylate functionalized carbon nanotubes (CNT–COOH) over tridentate diglycolamic acid functionalized CNT: density functional theoretical investigation31Thermodynamics of Associated Electrolytes in Water: Molecular Dynamics Simulations of Sulfate Solutions37A novel sequential process for remediating rare-earth wastewater20Etude du paramagnétisme des actinides en solution0A Revised and Expanded Structure Hierarchy of Natural and Synthetic Hexavalent Uranium Compounds172Extraction of local coordination structure in a low-concentration uranyl system by XANES28Th3[Th6(OH)4O4(H2O)6](SO4)12(H2O)13: A Self-Assembled Microporous Open-Framework Thorium Sulfate32A review of the coordination chemistry of hydrothermal systems, or do coordination changes make ore deposits?308A Spectroscopic Study of Uranium and Molybdenum Complexation within the Pore Channels of Hybrid Mesoporous Silica11Paramagnetism of Aqueous Actinide Cations. Part II: Theoretical Aspects and New Measurements on An(IV)17Strengthening of the Coordination Shell by Counter Ions in Aqueous Th4+ Solutions21A hydrated ion model of [UO2]2+ in water: Structure, dynamics, and spectroscopy from classical molecular dynamics32An Amidoximated-UHMEPE Fiber for Selective and High Efficient Removal of Uranyl and Thorium from Acid Aqueous Solution13Bonding properties of humic acid with attapulgite and its influence on U(VI) sorption58Application of chelating weak base resin Dowex M4195 to the recovery of uranium from mixed sulfate/chloride media60Impact of chloride on uranium(VI) speciation in acidic sulfate ion exchange systems: Towards seawater-tolerant mineral processing circuits18Mineralogy, geochronology, and genesis of the Andrew Lake uranium deposit, Thelon Basin, Nunavut, Canada22Linking Solution Structures and Energetics: Thorium Nitrate Complexes17Etude du plutonium(IV) en solution en couplant approches théoriques et expérimentales0A novel stable 3D luminescent uranyl complex for highly efficient and sensitive recognition of Ru3+ and biomolecules11Speciation of Actinide Complexes, Clusters, and Nanostructures in Solution2Exploring Actinide Materials through Synchrotron Radiation Techniques4Tris-amidoximate uranyl complexesviaη2binding mode coordinated in aqueous solution shown by X-ray absorption spectroscopy and density functional theory methods21Thorium Oxo‐Clusters as Building Blocks for Open Frameworks37Approche multi-échelle pour la compréhension de mécanismes d'extraction de l'uranium en utilisant des liquides ioniques0Uranium Transport in F-Cl-Bearing Fluids and Hydrothermal Upgrading of U-Cu Ores in IOCG Deposits56Spéciation et mobilité de l'uranium dans des sols et des sédiments lacustres en aval d'anciens sites miniers1Uranium separation from acid mine drainage using anionic resins – An experimental/theoretical investigation of its chemical speciation and the interaction mechanism22ab initio Molecular Dynamics Simulations of Storage Pond Radionuclides and Related ions0Ab initio molecular dynamics studies of hydroxide coordination of alkaline earth metals and uranyl13Probing the existence of uranyl trisulfate structures in the AMEX solvent extraction process27Thermodynamic and structural aspects of the aqueous uranium( iv ) system – hydrolysis vs. sulfate complexation5UO 2 2+ structure in solvent extraction phases resolved at molecular and supramolecular scales: a combined molecular dynamics, EXAFS and SWAXS approach36Crystallographic structure and charge distribution of AUO4 and A3UO6 uranates (A = Ca, Sr, Ba or Pb)10On the origin of exothermic DSC peak prior to glycine-nitrate gel combustion during ThO2 synthesis6Coordination Chemistry of Metal Ions in Some Oxygen Donor Solvents2Deciphering the Crystal Structure of a Scarce 1D Polymeric Thorium Peroxo Sulfate13Investigation of Uranyl Sulfate Complexation under Hydrothermal Conditions by Quantitative Raman Spectroscopy and Density Functional Theory31Investigation of the local structure of molten ThF4–LiF and ThF4–LiF–BeF2 mixtures by high-temperature X-ray absorption spectroscopy and molecular-dynamics simulation23Uranyl speciation in sulfate-bearing hydrothermal solutions up to 250 °C28Synthèse et évaluation de silices hybrides fonctionnalisées pour la récupération de l'uranium en milieu sulfurique0Modélisation moléculaire de solutions silicatées en milieux alcalins0Complexation of actinides and analogues with hydroxamate ligands1Properties of the tetravalent actinide series in aqueous phase from a microscopic simulation self-consistent engine18Full crystal structure, hydrogen bonding and spectroscopic, mechanical and thermodynamic properties of mineral uranopilite11Hydration Structure and Hydrolysis of U(IV) and Np(IV) Ions: A Comparative Density Functional Study Using a Modified Continuum Solvation Approach11Combining EXAFS and Computer Simulations to Refine the Structural Description of Actinyls in Water7Réactivité sonochimique d'oxydes d'actinides nanocristallins0Multi-scale approach for understanding and optimization of uranium extraction from sulfuric media by nitrogenous amphiphiles0Controlling the Reduction of Chelated Uranyl to Stable Tetravalent Uranium Coordination Complexes in Aqueous Solution15Rare earth real wastewater treatment by pilot scale using new concept continuous treatment process17Uranium MOF derivative based on 2,2',2''-[1 4,6-triyltris(thio)]trisacetic acid as sensor for ruthenium(III) and biomolecules8On interactions in binary mixtures used in solvent extraction: Insights from combined Isothermal Titration Calorimetry experiments and Molecular Dynamics simulations4Uranium speciation control by uranyl sulfate and phosphate in tailings subject to a Sahelian climate, Cominak, Niger23Visible light driven photocatalytic removal of uranium(VI) in strongly acidic solution77The effects of amidophosphonate ligand immobilization method on the uranium extraction efficiency of functionalized silica6Identification des contributions énergétiques pour l'extraction liquide-liquide0Anion- and cation-exchange studies of Zr, Hf, and Th using ion-exchange resin and fiber in H2SO4 media for chemical characterization of sulfate complex of Rf0Quantitative determination of nickel speciation for the presence of free oxide in commercial fluid catalytic cracking catalysts2L’extraction raisonnée de métaux stratégiques par des hydrotropes0A Coupled EXAFS–Molecular Dynamics Study on PuO2+ and NpO2+ Hydration: The Importance of Electron Correlation in Force-Field Building18Structures of Hydrated Metal Ions in Solid State and Aqueous Solution56Etude par dynamique moléculaire de la séparation de l'uranium (VI) sur support solide0In situ (bio)remediation treatment options for U and Sr contaminated land: a comparison of radionuclide retention and remobilisation9Speciation of plutonium and analogs in phosphate media0Nature and coordination geometry of geologically relevant aqueous Uranium(VI) complexes up to 400 ºC: A review and new data25Hydration and Solvation of Metal Ions0Highly efficient adsorption of thorium( iv ) from aqueous solutions by functionalized UiO-66 with abundant phosphonic acid active sites17Structures of Th 4+ aqueous solutions: insights from AIMD and metadynamics simulations6Geological and Crystallochemical Characterization of the Margaritasite–Carnotite Mineral from the Uranium Region of Peña Blanca, Chihuahua, Mexico3Actinide Sulfate Structures from Caustic Solvents1Remarkable structural effects on the extraction behavior of uranium from sulfuric acid medium using di-alkylhydrogen phosphonates: Insights from EXAFS and DFT computations2Application of the flexible and polarisable hydration ion model to study Th(IV) aqueous solutions1EURAD state-of-the-art report on the understanding of radionuclide retention and transport in clay and crystalline rocks15Can different counter ions and their concentration modify the structural characteristics of aqueous solutions of uranyl ions? Atomistic insights from molecular dynamics simulations4Counter ion dependent adsorption and diffusion of aqueous uranyl ions in slit pores of lizardite and kaolinite clays: a molecular dynamics simulation study1Uranium coordination on clay surface at nanoscale: Integration of EXAFS data and Ab initio molecular dynamics7Reductive transformation processes of ferrihydrite and U(VI) triggered by S2- under an anaerobic environment5Effect of pH and sulphate ion concentration on the adsorption of uranium onto lamellar magnesium-amino clay0Unraveling the Potential Kinetic Stability of Uranyl Cation–Cation Interactions-Driven Dimers in Aqueous Solutions1Geochemical Behavior of Actinides in Deep Geological Repository Systems Under Thermodynamic and Environmental Constraints1Structure and dynamics of aqueous solutions of thorium (IV) ions under varying concentration and anionic environments: insights from molecular dynamics simulations0Rethinking uranium immobilization under reducing conditions in groundwater: mineral colloids as an overlooked control0Recent Advances in Recovery Enhancement Technologies for In Situ Leaching of Sandstone-Hosted Uranium Deposits1Hydrometallurgical processing of complex rare earth ores: trade-offs between REE recovery and radionuclide mobility0

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  1. Risk factors for anastomotic leakage after resection for rectal cancer.

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  2. EXAFS Investigation of U(VI), U(IV), and Th(IV) Sulfato Complexes in Aqueous Solution.

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  3. Speciation of Uranyl Nitrato Complexes in Acetonitrile and in the Ionic Liquid 1‐Butyl‐3‐methylimidazolium Bis(trifluoromethylsulfonyl)imide

    European Journal of Inorganic Chemistry · 2007-09-18

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  4. Stoichiometry and Structure of Uranyl(VI) Hydroxo Dimer and Trimer Complexes in Aqueous Solution

    Inorganic Chemistry · 2007-11-10

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  5. Coordination of U(IV) and U(VI) sulfate hydrate in aqueous solution

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  6. The actinides

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  7. Structural Determination of Individual Chemical Species in a Mixed System by Iterative Transformation Factor Analysis-Based X-ray Absorption Spectroscopy Combined with UV−Visible Absorption and Quantum Chemical Calculation

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  8. Coordination of a Uranium(IV) Sulfate Monomer in an Aqueous Solution and in the Solid State

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  9. Stoichiometries and Thermodynamic Stabilities for Aqueous Sulfate Complexes of U(VI)

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  10. Species Distribution and Coordination of Uranyl Chloro Complexes in Acetonitrile

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    Christoph Hennig, Kelly Servaes, Peter Nockemann, Kristof Van Hecke, Luc Van Meervelt, Johan Wouters, Linda Fluyt, Christiane Görller‐Walrand, Rik Van Deun

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  11. Hydrolysis and Dimerization of Th 4+ Ion

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  12. Electrochemical and Complexation Behavior of Neptunium in Aqueous Perchlorate and Nitrate Solutions

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    Atsushi Ikeda‐Ohno, Christoph Hennig, A. Roßberg, Harald Funke, Andreas C. Scheinost, Gert Bernhard, Tsuyoshi Yaita

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  13. Thermodynamic Model for ThO2(am) Solubility in Alkaline Silica Solutions

    Journal of Solution Chemistry · 2008-10-10

    Dhanpat Rai, Mikazu Yui, Dean A. Moore, Gregg J. Lumetta, Kevin M. Rosso, Yuanxian Xia, Andrew R. Felmy, Frances N. Skomurski

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  14. Spectrophotometric and calorimetric studies of U(VI) complexation with sulfate at (25 to 70) °C

    The Journal of Chemical Thermodynamics · 2008-11-01

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  15. The relationship of monodentate and bidentate coordinated uranium(VI) sulfate in aqueous solution

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  16. Spectrophotometric and calorimetric studies of Np(V) complexation with sulfate at 10–70°c

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  17. Sorption of Th(IV) onto Iron Corrosion Products: EXAFS Study

    Environmental Science & Technology · 2009-03-17

    F. Seco, Christoph Hennig, Joan de Pablo, Miquel Rovira, I. Rojo, Vicenç Martí, Javier Giménez, Lara Duro, M. Grivé, Jordi Bruno

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  18. Photochemical Reduction of UO22+ in the Presence of Alcohol Studied by Density Functional Theory Calculations

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  19. Structure of early actinides(V) in acidic solutions

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  20. Speciation and Structural Study of U(IV) and -(VI) in Perchloric and Nitric Acid Solutions

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  21. Uranium Uptake by Hectorite and Montmorillonite: A Solution Chemistry and Polarized EXAFS Study

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  22. Effects of the first hydration sphere and the bulk solvent on the spectra of the f 2 isoelectronic actinide compounds: U 4+ , NpO 2 + , and PuO 2 2+

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  23. Nanoscale UO2 and novel complex U(IV)-sulphate phase formation from electrolytically reduced uranyl sulphate solutions

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  24. Uranium Chemistry in Soils and Sediments

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  28. Binary and ternary uranium(vi) humate complexes studied by attenuated total reflection Fourier-transform infrared spectroscopy

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  29. Nanoscale Chemistry of Uranyl Selenates

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  30. On the “yl” bond weakening in uranyl(VI) coordination complexes

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  32. Identification of the uranium speciation in an underground acid mine drainage environment

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  33. Ab Initio X-ray Absorption Spectroscopy Study of the Solvation Structure of Th(IV), U(IV), and Np(IV) in Aqueous Solution

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  34. The crystal chemistry of four thorium sulfates

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  35. Structural Periodicity in Plutonium(IV) Sulfates

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  36. Synthesis and Characterization of Thorium(IV) Sulfates

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  37. TRLFS study on the speciation of uranium in seepage water and pore water of heavy metal contaminated soil

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  38. Speciation of Uranium in Seepage and Pore Waters of Heavy Metal-Contaminated Soil

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  39. Unprecedented Bidentate Coordination of the Uranyl Cation by the Chromate Anion in the Structure of [(CH3)2CHNH3]2[UO2(CrO4)2]

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  40. Structure and stability range of a hexanuclear Th(iv)–glycine complex

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  41. Syntheses and crystal structures of two novel alkaline uranyl chromates A2(UO2)(CrO4)2 (A=Rb, Cs) with bidentate coordination mode of uranyl ions by chromate anions

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  42. Sructural parameters of the nearest surrounding of tri- and tetravalent actinide ions in aqueous solutions of actinide salts

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  43. Structural Periodicity in the Coordination Chemistry of Aqueous Pu(IV) Sulfates

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  44. Hydration structures of U(III) and U(IV) ions from ab initio molecular dynamics simulations

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  45. Uranium(IV) Sulfates: Investigating Structural Periodicity in the Tetravalent Actinides

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  46. Complexation and thermodynamics of Cm( iii ) at high temperatures: the formation of [Cm(SO 4 ) n ] 3−2n (n = 1, 2, 3) complexes at T = 25 to 200 °C

    Dalton Transactions · 2012-10-22

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  47. Solution and Solid-State Structural Chemistry of Actinide Hydrates and Their Hydrolysis and Condensation Products

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  48. Environmental Speciation of Actinides

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  49. Solid-state properties and colloidal stability of thorium(IV)–silica nanoparticles

    Geochimica et Cosmochimica Acta · 2012-11-14

    Christoph Hennig, Stephan Weiß, Dipanjan Banerjee, Erica Brendler, V. Honkimäki, Gabriel Julio Cuello, Atsushi Ikeda‐Ohno, Andreas C. Scheinost, Harald Zänker

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  50. Further insights in the ability of classical nonadditive potentials to model actinide ion–water interactions

    Journal of Computational Chemistry · 2012-12-12

    Florent Réal, Michael Trumm, Bernd Schimmelpfennig, Michel Masella, Valérie Vallet

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