Papers citing Solvent Effects on Uranium(VI) Fluoride and Hydroxide Complexes Studied by EXAFS and Quantum Chemistry
On the structure and relative stability of uranyl(VI) sulfate complexes in solution
Comptes Rendus Chimie · 2007-05-02
Valérie Vallet, Ingmar Grenthe
Read original paper ↗ ·Uranyl Coordination in Ionic Liquids: The Competition between Ionic Liquid Anions, Uranyl Counterions, and Cl- Anions Investigated by Extended X-ray Absorption Fine Structure and UV−Visible Spectroscopies and Molecular Dynamics Simulations
Inorganic Chemistry · 2007-05-16
C. Gaillard, Alain Chaumont, Isabelle Billard, Christoph Hennig, Ali Ouadi, Georges Wipff
Read original paper ↗ ·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
Kelly Servaes, Christoph Hennig, Isabelle Billard, C. Gaillard, Koen Binnemans, Christiane Görller‐Walrand, Rik Van Deun
Read original paper ↗ ·Comment on “The Water‐Exchange Mechanism of the [UO2(OH2)5]2+ Ion Revisited: The Importance of a Proper Treatment of Electron Correlation” [F. P. Rotzinger Chem. Eur. J., 2007, 13, 800]
Chemistry - A European Journal · 2007-11-15
Valérie Vallet, Ulf Wahlgren, Ingmar Grenthe
Read original paper ↗ ·Speciation of Uranyl Complexes in Ionic Liquids by Optical Spectroscopy
Inorganic Chemistry · 2007-11-29
Peter Nockemann, Kelly Servaes, Rik Van Deun, Kristof Van Hecke, Luc Van Meervelt, Koen Binnemans, Christiane Görller‐Walrand
Read original paper ↗ ·What can quantum chemistry tell us about Pa(v) hydration and hydrolysis?
New Journal of Chemistry · 2008-01-01
Bertrand Siboulet, Colin J. Marsden, Pierre Vitorge
Read original paper ↗ ·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
Analytical Chemistry · 2008-01-23
Atsushi Ikeda‐Ohno, Christoph Hennig, A. Roßberg, Satoru Tsushima, Andreas C. Scheinost, Gert Bernhard
Read original paper ↗ ·Density Functional Theory Study of Uranium(VI) Aquo Chloro Complexes in Aqueous Solution
The Journal of Physical Chemistry A · 2008-02-13
Michæl Bühl, Nicolas Sieffert, Volodymyr Golubnychiy, Georges Wipff
Read original paper ↗ ·Species Distribution and Coordination of Uranyl Chloro Complexes in Acetonitrile
Inorganic Chemistry · 2008-03-14
Christoph Hennig, Kelly Servaes, Peter Nockemann, Kristof Van Hecke, Luc Van Meervelt, Johan Wouters, Linda Fluyt, Christiane Görller‐Walrand, Rik Van Deun
Read original paper ↗ ·Complexation of Uranium(VI) with Aromatic Acids in Aqueous Solution: A Combined Computational and Experimental Study
Inorganic Chemistry · 2008-03-25
Jonas Wiebke, Anna Moritz, Maja Glorius, Henry Moll, Gert Bernhard, Michael Dolg
Read original paper ↗ ·Transition State for the Gas-Phase Reaction of Uranium Hexafluoride with Water
The Journal of Physical Chemistry A · 2008-05-24
Stephen L. Garrison, James M. Becnel
Read original paper ↗ ·Theoretical Study of the Oxygen Exchange in Uranyl Hydroxide. An Old Riddle Solved?
Journal of the American Chemical Society · 2008-09-23
Grigory A. Shamov, Georg Schreckenbach
Read original paper ↗ ·Density functional study of aqueous uranyl(VI) fluoride complexes
Chemical Physics Letters · 2008-11-09
Michæl Bühl, Nicolas Sieffert, Georges Wipff
Read original paper ↗ ·Role of aliphatic and phenolic hydroxyl groups in uranyl complexation by humic substances
Inorganica Chimica Acta · 2008-12-07
Alena Kremleva, Sven Krüger, Notker Rösch
Read original paper ↗ ·The geometric structures, vibrational frequencies and redox properties of the actinyl coordination complexes ([AnO2(L)n]m; An = U, Pu, Np; L = H2O, Cl−, CO32−, CH3CO2−, OH−) in aqueous solution, studied by density functional theory methods
Dalton Transactions · 2009-01-01
Jonathan P. Austin, Mahesh Sundararajan, Mark A. Vincent, Ian H. Hillier
Read original paper ↗ ·Evolution of chemical species during electrodeposition of uranium for alpha spectrometry by the Hallstadius method
Applied Radiation and Isotopes · 2009-03-30
Angela M. Beesley, M. Teresa Crespo, Norbert Weiher, Nikolaos Tsapatsaris, J.S. Cózar, Hilda Esperanza Esparza-Ponce, Carmen Grisel Méndez-García, Patrick I. Hill, Sven L. M. Schroeder, María Elena Montero-Cabrera
Read original paper ↗ ·Effect of Temperature on the Complexation of Uranium(VI) with Fluoride in Aqueous Solutions
Inorganic Chemistry · 2009-06-10
Guoxin Tian, Linfeng Rao
Read original paper ↗ ·Oxo ligand functionalization in the uranyl ion (UO22+)
Coordination Chemistry Reviews · 2009-06-22
Skye Fortier, Trevor W. Hayton
Read original paper ↗ ·Actinide and lanthanide speciation in imidazolium-based ionic liquids
Radiochimica Acta · 2009-06-29
Isabelle Billard, C. Gaillard
Read original paper ↗ ·Structure and stability of aquotetrafluorouranyl(VI) in the solid state — Density functional study of [UO2F4(H2O)][NMe4]2·2H2O,
Canadian Journal of Chemistry · 2009-07-01
Michæl Bühl
Read original paper ↗ ·Density Functional Studies on the Complexation and Spectroscopy of Uranyl Ligated with Acetonitrile and Acetone Derivatives
The Journal of Physical Chemistry A · 2009-07-02
George Schoendorff, Theresa L. Windus, Wibe Albert de Jong
Read original paper ↗ ·Effect of Counterions on the Structure and Stability of Aqueous Uranyl(VI) Complexes. A First-Principles Molecular Dynamics Study
Inorganic Chemistry · 2009-09-25
Michæl Bühl, Georg Schreckenbach, Nicolas Sieffert, Georges Wipff
Read original paper ↗ ·Quantum relativistic investigation about the coordination and bonding effects of different ligands on uranyl complexes
Polyhedron · 2009-11-28
Dayán Páez‐Hernández, Rodrigo Ramírez‐Tagle, Edelsys Codorniu‐Hernández, Luís A. Montero, Ramiro Arratia‐Pérez
Read original paper ↗ ·A DFT study of the reactivity of actinidocenes (U, Np and Pu) with pyridine and pyridine N-oxide derivatives
Dalton Transactions · 2010-01-01
Ludovic Castro, Ahmed Yahia, Laurent Maron
Read original paper ↗ ·Actinides in Solution: Complexation and Kinetics
Springer eBooks · 2010-01-01
Gregory R. Choppin, Mark P. Jensen
Read original paper ↗ ·X-Ray Absorption Spectroscopy of the Actinides
Springer eBooks · 2010-01-01
Mark R. Antonio, Lynda Soderholm
Read original paper ↗ ·Charge Transfer in Uranyl(VI) Halides [UO 2 X 4 ] 2− (X = F, Cl, Br, and I). A Quantum Chemical Study of the Absorption Spectra
The Journal of Physical Chemistry A · 2010-02-18
Fernando Ruipérez, Ulf Wahlgren
Read original paper ↗ ·Are 5f Electrons Really Active in Organoactinide Reactivity? Some Insights from DFT Studies
ChemPhysChem · 2010-03-08
Ludovic Castro, Ahmed Yahia, Laurent Maron
Read original paper ↗ ·Trimolecular Reactions of Uranium Hexafluoride with Water
The Journal of Physical Chemistry A · 2010-03-08
Maria C. Lind, Stephen L. Garrison, James M. Becnel
Read original paper ↗ ·A DFT study of the reactivity of Cp2AnMe2 with pyridine N-oxide: Towards a predicted different reactivity of U/Pu and Np
Comptes Rendus Chimie · 2010-03-19
Ludovic Castro, Ahmed Yahia, Laurent Maron
Read original paper ↗ ·The Effect of the Equatorial Environment on Oxo‐Group Silylation of the Uranyl Dication: A Computational Study
Chemistry - A European Journal · 2010-03-20
Ahmed Yahia, Polly Louise Arnold, Jason B. Love, Laurent Maron
Read original paper ↗ ·Theoretical study of the microhydration of mononuclear and dinuclear uranium(VI) species derived from solvolysis of uranyl nitrate in water
Journal of Computational Chemistry · 2010-03-25
Milan Ončák, Detlef Schröder, Petr Slavı́ček
Read original paper ↗ ·A Theoretical Study of Uranium(IV) Bis‐Methyl Complexes: Towards the Predictive Formation of a Transient Uranium(IV) Carbene Complex
Chemistry - A European Journal · 2010-04-15
Ahmed Yahia, Ludovic Castro, Laurent Maron
Read original paper ↗ ·On the Mechanism of Oxygen Exchange Between Uranyl(VI) Oxygen and Water in Strongly Alkaline Solution as Studied by 17O NMR Magnetization Transfer
Inorganic Chemistry · 2010-05-07
Zoltán Szabó, Ingmar Grenthe
Read original paper ↗ ·Density Functional Model Study of Uranyl Adsorption on the Solvated (001) Surface of Kaolinite
The Journal of Physical Chemistry C · 2010-07-15
Benjamí Martorell, Alena Kremleva, Sven Krüger, Notker Rösch
Read original paper ↗ ·Understanding the nitrate coordination to Eu3+ ions in solution by potential of mean force calculations
Physical Chemistry Chemical Physics · 2011-01-01
Magali Duvail, Philippe Guilbaud
Read original paper ↗ ·The study of actinide chemistry with multiconfigurational quantum chemical methods
International Journal of Quantum Chemistry · 2011-01-18
Laura Gagliardi
Read original paper ↗ ·Cluster-Models for Uranyl(VI) Adsorption on α-Alumina
The Journal of Physical Chemistry A · 2011-01-26
Vassiliki‐Alexandra Glezakou, Wibe Albert de Jong
Read original paper ↗ ·Strong correlations in actinide redox reactions
The Journal of Chemical Physics · 2011-02-10
Steven E. Horowitz, John Bradley Marston
Read original paper ↗ ·Structural Correspondence between Uranyl Chloride Complexes in Solution and Their Stability Constants
The Journal of Physical Chemistry A · 2011-04-28
L. Soderholm, S. Skanthakumar, Richard E. Wilson
Read original paper ↗ ·Theoretical Treatment of Redox Processes Involving Lanthanide(II) Compounds: Reactivity of Organosamarium(II) and Organothulium(II) Complexes with CO2 and Pyridine
The Journal of Physical Chemistry A · 2011-06-15
Stéphanie Labouille, F. Nief, Laurent Maron
Read original paper ↗ ·Insights into Uranyl Chemistry from Molecular Dynamics Simulations
ChemPhysChem · 2011-09-29
Michæl Bühl, Georges Wipff
Read original paper ↗ ·Theoretical Study of the Structural Properties of Plutonium(IV) and (VI) Complexes
The Journal of Physical Chemistry A · 2011-11-01
Samuel O. Odoh, Georg Schreckenbach
Read original paper ↗ ·Observation and investigation of the uranyl tetrafluoride dianion (UO2F42−) and its solvation complexes with water and acetonitrile
Chemical Science · 2012-01-01
Phuong Diem Dau, Jing Su, Hongtao Liu, Jian‐Biao Liu, Dao‐Ling Huang, Jun Li, Lai‐Sheng Wang
Read original paper ↗ ·“yl”-Oxygen Exchange in Uranyl(VI) Ion: A Mechanism Involving (UO2)2(μ-OH)22+ via U–Oyl–U Bridge Formation
Inorganic Chemistry · 2012-01-24
Satoru Tsushima
Read original paper ↗ ·Preparation, Stability, and Structural Characterization of Plutonium(VII) in Alkaline Aqueous Solution
Inorganic Chemistry · 2012-04-23
Mark R. Antonio, C.W. Williams, James A. Sullivan, S. Skanthakumar, Yung‐Jin Hu, L. Soderholm
Read original paper ↗ ·Photoelectron spectroscopy and the electronic structure of the uranyl tetrachloride dianion: UO2Cl42−
The Journal of Chemical Physics · 2012-08-10
Phuong Diem Dau, Jing Su, Hongtao Liu, Dao‐Ling Huang, Jun Li, Lai‐Sheng Wang
Read original paper ↗ ·Solution and Solid-State Structural Chemistry of Actinide Hydrates and Their Hydrolysis and Condensation Products
Chemical Reviews · 2012-10-29
Karah E. Knope, L. Soderholm
Read original paper ↗ ·Probing the Nature of Chemical Bonding in Uranyl(VI) Complexes with Quantum Chemical Methods
The Journal of Physical Chemistry A · 2012-11-14
Valérie Vallet, Ulf Wahlgren, Ingmar Grenthe
Read original paper ↗ ·DFT Study of Oxo-Functionalized Pentavalent Dioxouranium Complexes: Structure, Bonding, Ligand Exchange, Dimerization, and U(V)/U(IV) Reduction of OUOH and OUOSiH3 Complexes
Inorganic Chemistry · 2012-12-17
Samuel O. Odoh, Georg Schreckenbach
Read original paper ↗ ·