A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe 4 Ln 2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and 57 Fe Mössbauer Study
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journal
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February 2017 |
Investigation into the Effects of a Trigonal-Planar Ligand Field on the Electronic Properties of Lanthanide(II) Tris(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb)
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journal
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April 2017 |
Rare earth separations by selective borate crystallization
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journal
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March 2017 |
The roles of 4f- and 5f-orbitals in bonding: a magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study
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journal
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January 2016 |
Tuning Magnetism of [MnSb 4 ] 9– Cluster in Yb 14 MnSb 11 through Chemical Substitutions on Yb Sites: Appearance and Disappearance of Spin Reorientation
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September 2016 |
Europium chalcogenide magnetic semiconductor nanostructures
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April 2015 |
Templating Influence of Molecular Precursors on Pr(OH) 3 Nanostructures
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June 2015 |
Ultrathin Europium Oxide Nanoplatelets: “Hidden” Parameters and Controlled Synthesis, Unusual Crystal Structure, and Photoluminescence Properties
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journal
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January 2015 |
Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE 2 Cu(TeO 3 ) 2 (SO 4 ) 2
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journal
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March 2014 |
Understanding and prediction of electronic-structure-driven physical behaviors in rare-earth compounds
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journal
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September 2013 |
Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl–Rare Earth 5f 1 -4f n Complexes
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journal
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March 2013 |
Lanthanide N , N -Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors
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journal
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June 2012 |
Computational Study of Cation Diffusion in Ceria
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journal
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November 2015 |
Redox behavior of a low-doped Pr-CeO2(111) surface. A DFT+U study
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journal
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April 2017 |
Three-dimensionally ordered macroporous Pr6O11 and Tb4O7 with mesoporous walls: Preparation, characterization, and catalytic activity for CO oxidation
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journal
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May 2015 |
Nanostructured Praseodymium Oxide: Correlation Between Phase Transitions and Catalytic Activity
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journal
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June 2010 |
Oxygen buffering capacity of mixed cerium terbium oxide: a new material with potential applications in three-way catalysts
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January 1997 |
Fundamentals and Catalytic Applications of CeO 2 -Based Materials
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journal
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April 2016 |
Giant onsite electronic entropy enhances the performance of ceria for water splitting
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journal
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August 2017 |
Facile hydrothermal synthesis of a highly efficient solar active Pr 6 O 11 –ZnO photocatalyst and its multiple applications
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journal
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January 2014 |
Monodisperse CeO 2 Nanoparticles and Their Oxygen Storage and Release Properties
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journal
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December 2010 |
Direct modeling of the electrochemistry in the three-phase boundary of solid oxide fuel cell anodes by density functional theory: a critical overview
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journal
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January 2014 |
Theoretical study of CeO2 and Ce2O3 using a screened hybrid density functional
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journal
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July 2006 |
Modeling of , , and in the formalism
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journal
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January 2007 |
calculations of the Jahn-Teller effect in
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journal
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February 2008 |
Localized and Itinerant States in Lanthanide Oxides United by
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journal
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March 2009 |
Nature of the electronic band gap in lanthanide oxides
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journal
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March 2013 |
Specific intermediate-valence state of insulating 4 f compounds detected by x-ray absorption
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journal
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January 1987 |
X-ray absorption studies of , , and . II. Rare-earth valence state by absorption edges
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journal
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July 1987 |
Pressure-induced changes in x-ray-absorption near-edge structure of Ce and Ce : Relevance to -electronic structure
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journal
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November 1988 |
A new method of directly determining the core–hole effect in the Ce L3 XAS of mixed valence Ce compounds—An application of resonant X-ray emission spectroscopy
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journal
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April 2011 |
M ‐edge x‐ray absorption spectroscopy of 4 f instabilities in rare‐earth systems (invited)
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journal
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March 1984 |
Theory of core-level spectroscopy of rare-earth oxides
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journal
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December 1992 |
Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction
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journal
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September 2016 |
Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln 2+ Ions in the [K(2.2.2-cryptand)][(C 5 H 4 SiMe 3 ) 3 Ln] Complexes: The Variable Nature of Dy 2+ and Nd 2+
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journal
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December 2014 |
Ligand Effects in the Synthesis of Ln 2+ Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C–H Bond Activation of an Indenyl Anion
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journal
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May 2015 |
Controlled Redox Chemistry at Cerium within a Tripodal Nitroxide Ligand Framework
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journal
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October 2015 |
Lanthanide amidinates and guanidinates in catalysis and materials science: a continuing success story
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journal
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January 2012 |
f-Element-Metal Bonding and the Use of the Bond Polarity To Build Molecular Intermetalloids
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journal
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September 2012 |
Single-Electron Uranyl Reduction by a Rare-Earth Cation
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journal
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December 2010 |
Comparative Study of f-Element Electronic Structure across a Series of Multimetallic Actinide and Lanthanoid-Actinide Complexes Possessing Redox-Active Bridging Ligands
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journal
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February 2010 |
Organo-f-element bonding energetics. Large magnitudes of metal arene bond enthalpies in zero-valent lanthanide sandwich complexes
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journal
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November 1992 |
Pursuit of Record Breaking Energy Barriers: A Study of Magnetic Axiality in Diamide Ligated Dy III Single-Molecule Magnets
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journal
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January 2017 |
A Low-Symmetry Dysprosium Metallocene Single-Molecule Magnet with a High Anisotropy Barrier
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journal
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July 2016 |
Tetranuclear and Pentanuclear Compounds of the Rare-Earth Metals: Synthesis and Magnetism
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journal
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July 2015 |
Record High Single-Ion Magnetic Moments Through 4f n 5d 1 Electron Configurations in the Divalent Lanthanide Complexes [(C 5 H 4 SiMe 3 ) 3 Ln] −
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journal
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July 2015 |
Tetraanionic Biphenyl Lanthanide Complexes as Single-Molecule Magnets
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journal
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February 2015 |
Fine-tuning the Local Symmetry to Attain Record Blocking Temperature and Magnetic Remanence in a Single-Ion Magnet
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journal
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March 2014 |
Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine
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journal
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January 2014 |
Evidence for 5d-σ and 5d-π covalency in lanthanide sesquioxides from oxygen K-edge X-ray absorption spectroscopy
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journal
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January 2016 |
Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl 6 x – ( x = 3, 2)
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journal
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February 2015 |
Direct Observation of 4f Intrashell Excitation in Luminescent Eu Complexes by Time-Resolved X-ray Absorption Near Edge Spectroscopy
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journal
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March 2014 |
Influence of the Torsion Angle in 3,3′-Dimethyl-2,2′-bipyridine on the Intermediate Valence of Yb in (C 5 Me 5 ) 2 Yb(3,3′-Me 2 -bipy)
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journal
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September 2013 |
Direct study of the f-electron configuration in lanthanide systems
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journal
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January 2011 |
Low-energy spectrum of a Tm-based double-decker complex
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journal
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March 2009 |
Self-Contained Kondo Effect in Single Molecules
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journal
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December 2005 |
Electronic Structure and Properties of Berkelium Iodates
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journal
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September 2017 |
Ab Initio Ligand-Field Theory Analysis and Covalency Trends in Actinide and Lanthanide Free Ions and Octahedral Complexes
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journal
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July 2017 |
Covalent Lanthanide Chemistry Near the Limit of Weak Bonding: Observation of (CpSiMe 3 ) 3 Ce−ECp* and a Comprehensive Density Functional Theory Analysis of Cp 3 Ln−ECp (E = Al, Ga)
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journal
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January 2011 |
Infrared Spectra and Quantum Chemical Calculations of the Bridge-Bonded HC(F)LnF 2 (Ln = La–Lu) Complexes
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journal
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August 2011 |
All-electron CASPT2 study of Ce(η8–C8H6)2
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journal
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June 2010 |
First-principles and study of cerium oxides: Dependence on the effective U parameter
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journal
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January 2007 |
Simple rules for determining valencies of f-electron systems
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journal
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September 2001 |
A Tetravalent Cerium Complex Containing a CeO Bond
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journal
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January 2014 |
Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex
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journal
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May 2016 |
The First Example of a μ 2 -Imido Functionality Bound to a Lanthanide Metal Center: X-ray Crystal Structure and DFT Study of [(μ-ArN)Sm(μ-NHAr)(μ-Me)AlMe 2 ] 2 (Ar = 2,6- i Pr 2 C 6 H 3 ) 1
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journal
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October 2002 |
Rare-Earth Metal Complexes with Terminal Imido Ligands: Rare-Earth Metal Complexes with Terminal Imido Ligands
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journal
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February 2015 |
Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies
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journal
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February 2017 |
An Alkali Metal-Capped Cerium(IV) Imido Complex
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journal
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May 2016 |
Lewis Acid Stabilized Methylidene and Oxoscandium Complexes
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journal
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October 2008 |
Spot the difference
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journal
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December 2010 |
Emergence of comparable covalency in isostructural cerium( iv )– and uranium( iv )–carbon multiple bonds
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journal
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January 2016 |
The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes
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journal
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February 2017 |
A Lanthanide Phosphinidene Complex: Synthesis, Structure, and Phospha-Wittig Reactivity
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journal
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February 2008 |
Complexes containing multiple bonding interactions between lanthanoid elements and main-group fragments
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journal
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January 2013 |
Electronic structures of trans-dioxometal complexes
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journal
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January 2006 |
Covalency in the uranyl ion: A polarized x-ray spectroscopic study
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journal
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November 2002 |
Covalency in f-element complexes
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journal
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January 2013 |
Tetrahalide Complexes of the [U(NR) 2 ] 2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy
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journal
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January 2013 |
Elucidating bonding preferences in tetrakis(imido)uranate(VI) dianions
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journal
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April 2017 |
Evidence for the Existence of Group 3 Terminal Methylidene Complexes
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journal
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July 2016 |
Ligand K-edge X-ray absorption spectroscopy: covalency of ligand–metal bonds
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journal
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January 2005 |
Metal and Ligand K-Edge XAS of Organotitanium Complexes: Metal 4p and 3d Contributions to Pre-edge Intensity and Their Contributions to Bonding
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journal
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January 2005 |
Relationship between the Dipole Strength of Ligand Pre-Edge Transitions and Metal−Ligand Covalency
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journal
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October 1999 |
Ligand K-edge x-ray absorption spectroscopic studies: metal-ligand covalency in a series of transition metal tetrachlorides
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journal
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March 1995 |
Determining Relative f and d Orbital Contributions to M–Cl Covalency in MCl 6 2– (M = Ti, Zr, Hf, U) and UOCl 5 – Using Cl K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory
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journal
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March 2012 |
New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory
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journal
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January 2014 |
Covalency in Metal–Oxygen Multiple Bonds Evaluated Using Oxygen K-edge Spectroscopy and Electronic Structure Theory
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journal
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January 2013 |
Experimental and Theoretical Comparison of the O K-Edge Nonresonant Inelastic X-ray Scattering and X-ray Absorption Spectra of NaReO 4
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journal
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October 2010 |
Preparation, crystalline properties and X-ray absorption spectra of rare earth oxides ROx (R ≡ Ce, PrandTb; 1.5 ⩽ x ⩽ 2)
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journal
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December 1989 |
Spectator and participator processes in the resonant photon-in and photon-out spectra at the Ce L3 edge of CeO2
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journal
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July 2012 |
Effect of valence mixing on multiplet structure in core photoabsorption spectra for Ce compounds
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journal
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July 1988 |
3d x-ray-absorption lines and the 3 4 multiplets of the lanthanides
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journal
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October 1985 |
A Macrocyclic Chelator That Selectively Binds Ln 4+ over Ln 3+ by a Factor of 10 29
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journal
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June 2016 |
Particle-hole cumulant approach for inelastic losses in x-ray spectra
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journal
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July 2016 |
CORE-HOLE EFFECT IN THE Ce L 3 X-RAY ABSORPTION SPECTRA OF CeO 2 AND CeFe 2 : NEW EXAMINATION BY USING RESONANT X-RAY EMISSION SPECTROSCOPY
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journal
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June 2013 |
Resonant inelastic x-ray scattering at the Ce edge of and : Implications for the valence of and related phenomena
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journal
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July 2005 |
Total and partial atomic-level widths
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journal
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August 1974 |
Influence of Pyrazolate vs N -Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes
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journal
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April 2014 |
Quantitative electron energy loss spectroscopy on M45 edges in rare earth oxides
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journal
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January 1990 |
The Theory of Atomic Structure and Spectra
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book
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December 1981 |
Multiplet effects in X-ray spectroscopy
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journal
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January 2005 |
Core Level Spectroscopy of Solids
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book
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January 2008 |
Electronic structure of nanoporous ceria from x-ray absorption spectroscopy and atomic multiplet calculations
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journal
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December 2007 |
The CTM4XAS program for EELS and XAS spectral shape analysis of transition metal L edges
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journal
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October 2010 |
High resolution mapping of surface reduction in ceria nanoparticles
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journal
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January 2011 |
Optical Absorption in Thin Films of Cerium Dioxide and Cerium Dioxide Containing Silicon Monoxide
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journal
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October 1986 |
Charge-transfer spectra of tetravalent lanthanide ions in oxides
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journal
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September 1975 |
X-ray absorption at the oxygen K edge in cubic f oxides examined using a full multiple-scattering approach
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journal
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September 1999 |
Determination of Ce4+/Ce3+ in electron-beam-damaged CeO2 by electron energy-loss spectroscopy
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journal
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December 1999 |
Carbon K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory Examination of Metal–Carbon Bonding in Metallocene Dichlorides
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journal
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September 2013 |
Accurate treatment of solids with the HSE screened hybrid
|
journal
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October 2010 |
Density Functional Theory Studies of the Electronic Structure of Solid State Actinide Oxides
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journal
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October 2012 |
Electronic structure and O K-edge XAS spectroscopy of U3O8
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journal
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June 2014 |
Electronic structure of , , and
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journal
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March 1976 |
Energies of the Electronic Configurations of the Singly, Doubly, and Triply Ionized Lanthanides and Actinides
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journal
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January 1971 |
Thermochemical properties of yttrium, lanthanum, and the lanthanide elements and ions
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journal
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December 1976 |
Theoretical Investigation of Some Magnetic and Spectroscopic Properties of Rare-Earth Ions
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journal
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September 1962 |
A Screened Hybrid DFT Study of Actinide Oxides, Nitrides, and Carbides
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journal
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June 2013 |
Covalency in the actinide dioxides: Systematic study of the electronic properties using screened hybrid density functional theory
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journal
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July 2007 |
Segmented contraction scheme for small-core actinide pseudopotential basis sets
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journal
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March 2004 |
Theoretical prediction of the second to fourth actinide ionization potentials
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journal
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April 2003 |
Ligand K-Edge X-ray Absorption Spectroscopy as a Probe of Ligand-Metal Bonding: Charge Donation and Covalency in Copper-Chloride Systems
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journal
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September 1994 |
High Precision K-Shell Photoabsorption Cross Sections for Atomic Oxygen: Experiment and Theory
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journal
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June 2013 |
Ln-4f/ligand-2p covalence in BaLnO3 and Cs3LnF7 (Ln=Ce, Pr, Tb)
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journal
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July 2000 |
Hydrolytische spaltung von höheren oxiden des Praseodyms und des terbiums
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journal
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April 1963 |
Uranium oxides investigated by X-ray absorption and emission spectroscopies
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journal
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May 2006 |
Soft X-ray microscopy and spectroscopy at the molecular environmental science beamline at the Advanced Light Source
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journal
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February 2006 |
Optimization of analysis of soft X-ray spectromicroscopy at the Ca 2p edge
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journal
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June 2009 |
A method for normalization of X-ray absorption spectra
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journal
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June 2005 |
Crystal-structure effects in the Ce -edge x-ray-absorption spectrum of : Multiple-scattering resonances and many-body final states
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journal
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August 1994 |
Hybrid functionals based on a screened Coulomb potential
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journal
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May 2003 |
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
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journal
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June 2006 |
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
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journal
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November 2005 |
Effect of spin-orbit coupling on the actinide dioxides AnO 2 (An=Th, Pa, U, Np, Pu, and Am): A screened hybrid density functional study
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journal
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October 2012 |
Screened hybrid and DFT + U studies of the structural, electronic, and optical properties of U 3 O 8
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journal
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November 2012 |
Projector augmented-wave method
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journal
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December 1994 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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journal
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January 1999 |