Electronic Structure and Bonding in Actinyl Ions and their Analogs
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May 2007 |
Recent Developments in Synthesis and Structural Chemistry of Nonaqueous Actinide Complexes
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October 2012 |
Solution and Solid-State Structural Chemistry of Actinide Hydrates and Their Hydrolysis and Condensation Products
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October 2012 |
Redox Energetics and Kinetics of Uranyl Coordination Complexes in Aqueous Solution
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July 2002 |
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
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January 2009 |
Which density functional should be used to study actinyl complexes?
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January 2009 |
Density functional theory (DFT) calculations of VI/V reduction potentials of uranyl coordination complexes in non-aqueous solutions
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January 2019 |
Uranyl‐Bound Tetra‐Dentate Non‐Innocent Ligands: Prediction of Structure and Redox Behaviour Using Density Functional Theory
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June 2019 |
Disproportionation of the Uranyl(V) Coordination Complexes in Aqueous Solution through Outer-Sphere Electron Transfer
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November 2021 |
Aqueous Uranium(VI) Hydrolysis Species Characterized by Attenuated Total Reflection Fourier-Transform Infrared Spectroscopy
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November 2008 |
Hydrolysis of Uranyl(VI) in Acidic and Basic Aqueous Solutions Using a Noncomplexing Organic Base: A Multivariate Spectroscopic and Statistical Study
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April 2011 |
Pu(VI) Hydrolysis: Further Evidence for a Dimeric Plutonyl Hydroxide and Contrasts with U(VI) Chemistry
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February 2006 |
Computational Redox Potential Predictions: Applications to Inorganic and Organic Aqueous Complexes, and Complexes Adsorbed to Mineral Surfaces
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April 2014 |
The basis for reevaluating the reactivity of pyrite surfaces: spin states and crystal field d-orbital splitting energies of bulk, terrace, edge, and corner Fe( ii ) ions
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January 2019 |
Inhibition of U(VI) Reduction by Synthetic and Natural Pyrite
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August 2014 |
Uptake of uranium and trace elements in pyrite (FeS2) suspensions
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March 2010 |
Uranium in Framboidal Pyrite from a Naturally Bioreduced Alluvial Sediment
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November 2009 |
Interaction between aqueous uranium (VI) and sulfide minerals: Spectroscopic evidence for sorption and reduction
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July 1994 |
A first principles study of the oxidation energetics and kinetics of realgar
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August 2010 |
A first principles study of coupled substitution in galena
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November 2011 |
The energetics and kinetics of uranyl reduction on pyrite, hematite, and magnetite surfaces: A powder microelectrode study
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October 2013 |
Uranium reduction on magnetite: Probing for pentavalent uranium using electrochemical methods
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May 2015 |
Aqueous uptake of uranium onto pyrite surfaces; reactivity of fresh versus weathered material
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November 2007 |
Uptake of Uranium(VI) by Pyrite under Boom Clay Conditions: Influence of Dissolved Organic Carbon
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May 2010 |
Interaction of U(VI) with pyrite, galena and their mixtures: a theoretical and multitechnique approach
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November 2006 |
Influence of Surface Compositions on the Reactivity of Pyrite toward Aqueous U(VI)
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May 2020 |
Reoxidation of Bioreduced Uranium under Reducing Conditions
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August 2005 |
Dissolution of Biogenic and Synthetic UO 2 under Varied Reducing Conditions
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August 2008 |
The interaction of molecular hydrogen with α-radiolytic oxidants on a (U,Pu)O2 surface
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July 2018 |
Kinetic study of the oxidation of p-hydroquinone and p-toluhydroquinone by neptunium(VI) in aqueous perchlorate media
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July 1973 |
Surface catalysis of uranium(VI) reduction by iron(II)
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October 1999 |
Reduction of Uranium(VI) by Soluble Iron(II) Conforms with Thermodynamic Predictions
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June 2011 |
Reduction of U(VI) by Fe(II) during the Fe(II)-Accelerated Transformation of Ferrihydrite
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July 2014 |
Chemical Reduction of U(VI) by Fe(II) at the Solid−Water Interface Using Natural and Synthetic Fe(III) Oxides
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August 2005 |
Abiotic U(VI) reduction by aqueous sulfide
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November 2014 |
Kinetics of reduction of plutonium(VI) and neptunium(VI) by sulfide in neutral and alkaline solutions
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April 1986 |
Uranium Immobilization by Sulfate-Reducing Biofilms
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April 2004 |
Kinetics of Uranium(VI) Reduction by Hydrogen Sulfide in Anoxic Aqueous Systems
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August 2006 |
Adhesion of Paenibacillus polymyxa on chalcopyrite and pyrite: surface thermodynamics and extended DLVO theory
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May 2003 |
Role of magnesium-bearing silicates in the flotation of pyrite in the presence of serpentine slimes
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June 2018 |
Uranium(VI) interaction with pyrite (FeS 2 ): Chemical and spectroscopic studies
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November 2006 |
A Theoretical Study of the Inner-Sphere Disproportionation Reaction Mechanism of the Pentavalent Actinyl Ions
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August 2007 |
Catalytic Cycles for the Reduction of [UO 2 ] 2+ by Cytochrome c 7 Proteins Proposed from DFT Calculations
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journal
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April 2008 |
Quantum Chemical Calculations of Reduction Potentials of AnO 2 2+ /AnO 2 + (An = U, Np, Pu, Am) and Fe 3+ /Fe 2+ Couples
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July 2006 |
Reduction of Uranyl(VI) by Iron(II) in Solutions: An Ab Initio Study
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January 2003 |
Electron Transfer Pathways Facilitating U(VI) Reduction by Fe(II) on Al- vs Fe-Oxides
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September 2017 |
A first principles investigation of electron transfer between Fe(II) and U(VI) on insulating Al- vs. semiconducting Fe-oxide surfaces via the proximity effect
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January 2017 |
An experimental and ab initio study on the abiotic reduction of uranyl by ferrous iron
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May 2015 |
Influence of the goethite (α-FeOOH) surface on the stability of distorted PuO 2 and PuO 2–x phases
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August 2016 |
Resolving the kinetics of individual aqueous reaction steps of actinyl (AnO2+ and AnO22+; An=U, Np, and Pu) tricarbonate complexes with ferrous iron and hydrogen sulfide from first principles
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March 2020 |
Determining the kinetics of discrete aqueous redox reaction sub-steps using computational methods: Application to reactions of plutonyl (PuO 2 +/2+ ) with Fe 2+ , Fe 3+ , and hydroxyl radical (•OH)
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November 2018 |
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
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March 1998 |
Voltammetry of Quinones in Unbuffered Aqueous Solution: Reassessing the Roles of Proton Transfer and Hydrogen Bonding in the Aqueous Electrochemistry of Quinones
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October 2007 |
Role of Quinones in Electron Transfer of PQQ–Glucose Dehydrogenase Anodes—Mediation or Orientation Effect
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June 2015 |
Predicting the Energy of the Water Exchange Reaction and Free Energy of Solvation for the Uranyl Ion in Aqueous Solution
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journal
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July 2006 |
Self-Consistent Reaction Field Calculations of Aqueous Al 3+ , Fe 3+ , and Si 4+ : Calculated Aqueous-Phase Deprotonation Energies Correlated with Experimental ln( K a ) and p K a
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September 2001 |
Isolation of the polysulfide complex [(UO2)(S2)3]4− from the in situ formation and subsequent reaction of uranyl cations in molten alkali metal polysulfide salts
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September 1997 |
The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation Data
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October 1998 |
The mechanism of the reduction of [AnO2]2+ (An = U, Np, Pu) in aqueous solution, and by Fe(ii) containing proteins and mineral surfaces, probed by DFT calculations
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January 2011 |
Theoretical Studies of the Properties and Solution Chemistry of AnO 2 2+ and AnO 2 + Aquo Complexes for An = U, Np, and Pu
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July 2000 |
Reduction Behavior of the Early Actinyl Ions in Aqueous Solution
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November 1999 |
Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species
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August 2009 |
Proximity effects on semiconducting mineral surfaces II:
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March 2003 |