Uranium–Ligand Multiple Bonding in Uranyl Analogues, [L═U═L] n + , and the Inverse Trans Influence
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journal
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December 2012 |
Covalency Trends in Group IV Metallocene Dichlorides. Chlorine K-Edge X-Ray Absorption Spectroscopy and Time Dependent-Density Functional Theory
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journal
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June 2008 |
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 |
Heavy fermion semiconductors
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journal
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May 2000 |
Lanthanide Photocatalysis
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journal
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October 2018 |
Energy‐adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide
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journal
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May 1994 |
Ground state calculations of di‐π‐cyclooctatetraene cerium
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journal
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February 1991 |
Ab initio pseudopotentials for Hg through Rn : I. Parameter sets and atomic calculations
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journal
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December 1991 |
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 |
Photoelectron spectroscopy of Ce(η-C5H5)3 – Accessing two ion states on 4f ionization
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December 2006 |
Uranocenes with hydrocarbon substituents
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May 1973 |
Single but Stronger UO, Double but Weaker UNMe Bonds: The Tale Told by Cp 2 UO and Cp 2 UNR
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journal
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September 2007 |
Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands
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journal
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February 2011 |
Formally tetravalent cerium and thorium compounds: a configuration interaction study of cerocene Ce(C8H8)2 and thorocene Th(C8H8)2 using energy-adjusted quasirelativistic ab initio pseudopotentials
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journal
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June 1995 |
Is there a molecular analogue of a Kondo singlet state?
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journal
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September 1989 |
The Theory of Atomic Structure and Spectra
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book
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December 1981 |
Ground States, Excited States, and Metal−Ligand Bonding in Rare Earth Hexachloro Complexes: A DFT-Based Ligand Field Study
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journal
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April 2005 |
Uranium Tetrakis-Aryloxide Derivatives Supported by Tetraazacyclododecane: Synthesis of Air-Stable, Coordinatively-Unsaturated U(IV) and U(V) Complexes
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journal
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November 2016 |
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 |
Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines
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journal
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December 2010 |
Structural criteria for the mode of bonding of organoactinides and -lanthanides and related compounds
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journal
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August 1980 |
Evidence for 5d-σ and 5d-π covalency in lanthanide sesquioxides from oxygen K-edge X-ray absorption spectroscopy
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January 2016 |
Synthesis and Properties of Di-π-[8]annulenecerium(IV), Cerocene
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journal
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September 2004 |
Bis(permethylpentalene)cerium ? another ambiguity in lanthanide oxidation state
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journal
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January 2007 |
A complete basis set model chemistry. II. Open‐shell systems and the total energies of the first‐row atoms
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journal
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May 1991 |
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 |
Pentavalent Curium, Berkelium, and Californium in Nitrate Complexes: Extending Actinide Chemistry and Oxidation States
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journal
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July 2018 |
f-Orbital covalency in the actinocenes (An = Th–Cm): multiconfigurational studies and topological analysis
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journal
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January 2014 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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journal
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January 1988 |
Low-lying electronic states of lanthanocenes and actinocenes M(C8H8)2 (M=Nd, Tb, Yb, U)
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journal
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September 1997 |
Covalency in f-element complexes
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journal
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January 2013 |
Ion pair complex formed between bis(cyclooctatetraenyl)cerium(III) anion and an ether-coordinated potassium cation. Crystal and molecular structure of [K(CH3OCH2CH2)2O][Ce(C8H8)2]
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journal
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December 1972 |
Comparison of non-relativistic and quasi-relativistic SCF-Xα scattered-wave calculations of uranocene, thorocene and cerocene
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journal
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June 1984 |
Bis(cyclooctatetraenyl)uranium (uranocene). A new class of sandwich complexes that utilize atomic f orbitals
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December 1968 |
Two interpretations of the cerocene electronic ground state
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journal
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February 2014 |
Reversible Sigma C–C Bond Formation Between Phenanthroline Ligands Activated by (C 5 Me 5 ) 2 Yb
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journal
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June 2014 |
Cerium(III) and Cerium(IV) Bis(η 8 -pentalene) Sandwich Complexes: Synthetic, Structural, Spectroscopic, and Theoretical Studies
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journal
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June 2007 |
Theory of core-level spectroscopy of rare-earth oxides
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journal
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December 1992 |
Scrutinizing metal–ligand covalency and redox non-innocence via nitrogen K-edge X-ray absorption spectroscopy
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journal
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January 2019 |
The Oxidation State of Ce in the Sandwich Molecule Cerocene
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journal
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January 1996 |
Multiplet effects in X-ray spectroscopy
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journal
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January 2005 |
Comparisons of lanthanide/actinide +2 ions in a tris(aryloxide)arene coordination environment
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journal
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January 2017 |
Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex
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journal
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July 2019 |
A relativistic lcao hartree-fock-slater investigation of the electronic structure of the actinocenes M(COT)2, M = Th, Pa, U, Np AND Pu
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journal
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June 1988 |
Are the Ground States of the Later Actinocenes Multiconfigurational? All-Electron Spin−Orbit Coupled CASPT2 Calculations on An(η 8 -C 8 H 8 ) 2 (An = Th, U, Pu, Cm)
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journal
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July 2009 |
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 |
An investigation of the electronic structure of bis(η-cyclo-octatetraene)-actinoids by helium-( I ) and -( II ) photoelectron spetroscopy
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journal
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January 1977 |
Modeling the electronic states and magnetic properties derived from the f 1 configuration in lanthanocene and actinocene compounds
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journal
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January 2017 |
Charge control of the inverse trans-influence
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January 2015 |
Magnetic Properties of a Terbium-[1]Ferrocenophane Complex: Analogies between Lanthanide-Ferrocenophane and Lanthanide-Bis-phthalocyanine Complexes
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journal
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June 2018 |
Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M–S bonding for MS 4 2− (M = Cr, Mo, W) dianions
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journal
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January 2014 |
Synthesis and Characterization of Tris-chelate Complexes for Understanding f -Orbital Bonding in Later Actinides
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January 2019 |
Spectrum analysis of U 3+ :LaCl 3
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journal
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May 1980 |
Quantifying the σ and π Interactions between U(V) f Orbitals and Halide, Alkyl, Alkoxide, Amide and Ketimide Ligands
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July 2013 |
Covalency in the 4f Shell of tris -Cyclopentadienyl Ytterbium (YbCp 3 )—A Spectroscopic Evaluation
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journal
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December 2011 |
Covalency in AnCp4 (An = Th–Cm): a comparison of molecular orbital, natural population and atoms-in-molecules analyses
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journal
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January 2010 |
Reduction of a Cerium(III) Siloxide Complex To Afford a Quadruple-Decker Arene-Bridged Cerium(II) Sandwich
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journal
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November 2017 |
Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand
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journal
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January 2013 |
A method for normalization of X-ray absorption spectra
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journal
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June 2005 |
Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning
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journal
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June 2012 |
Is Cerocene Really a Ce(III) Compound? All-Electron Spin−Orbit Coupled CASPT2 Calculations on M(η 8 -C 8 H 8 ) 2 (M = Th, Pa, Ce)
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journal
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March 2009 |
L 3 and M 4,5 absorption edges of intermediate valent cerium unravelled by resonant photoemission and resonant Auger spectroscopy
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journal
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May 1999 |
Pressure-induced changes in L III x-ray-absorption near-edge structure of Ce O 2 and Ce F 4 : Relevance to 4 f -electronic structure
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journal
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November 1988 |
A Theoretical Study on Divalent Heavier Group 14 Complexes as Promising Donor Ligands for Building Uranium–Metal Bonds
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journal
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April 2019 |
Covalency in CeIV and UIV Halide and N-Heterocyclic Carbene Bonds
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journal
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July 2010 |
Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO 2 , PrO 2 , and TbO 2
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journal
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November 2017 |
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 |
3d x-ray-absorption lines and the 3 d 9 4 f n + 1 multiplets of the lanthanides
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journal
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October 1985 |
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 |
Cerocene Revisited: The Electronic Structure of and Interconversion Between Ce 2 (C 8 H 8 ) 3 and Ce(C 8 H 8 ) 2
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journal
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February 2009 |
Covalency in f-element bonds
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journal
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October 2002 |
Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies
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journal
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February 2017 |
Zur Elektronenstruktur metallorganischer Komplexe der f-Elemente LXI. Welche Oxidationszahl hat Cer im tiefvioletten 1,1′,4,4′-Tetrakis(trimethylsilyl)cerocen?
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journal
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April 2005 |
On the Upper Limits of Oxidation States in Chemistry
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journal
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February 2018 |
All-electron CASPT2 study of Ce(η8–C8H6)2
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journal
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June 2010 |
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 |
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 |
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 |
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 |
Electron Localization in the Ground State of the Ruthenium Blue Dimer
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journal
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June 2007 |
Decamethylytterbocene Complexes of Bipyridines and Diazabutadienes: Multiconfigurational Ground States and Open-Shell Singlet Formation
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journal
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May 2009 |
Photoelectron spectra and bonding in cerocene, bis(.pi.-[8]annulene)cerium(IV)
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journal
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December 1985 |
A proper account of core-polarization with pseudopotentials: single valence-electron alkali compounds
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journal
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July 1982 |
Comparative studies of quasi-relativistic density functional methods for the description of lanthanide and actinide complexes
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journal
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May 2003 |
An Efficient Access to Organocerium(IV) Complexes: Synthesis and Structure of Bis[1,3,6-tris(trimethylsilyl)cyclooctatetraene]cerium(IV)
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journal
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September 1994 |
The study of actinide chemistry with multiconfigurational quantum chemical methods
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journal
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January 2011 |
Variable Photon Energy Photoelectron Spectroscopy and Magnetism of YbCp 3 and LuCp 3 †
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journal
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November 2010 |
Kondo resonance in a single-molecule transistor
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journal
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June 2002 |
Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes
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journal
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January 2013 |
3 d resonant photoemission spectra at the Ce L 3 edge of CeRh 3
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journal
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September 2000 |
Molecular Complex of Tb in the +4 Oxidation State
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journal
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June 2019 |
Pyrazolates advance cerium chemistry: a Ce III /Ce IV redox equilibrium with benzoquinone
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journal
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January 2017 |
Bonding and Charge Transfer in Nitrogen-Donor Uranyl Complexes: Insights from NEXAFS Spectra
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journal
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October 2014 |
Covalency in bis([8]annulene)uranium from photoelectron spectroscopy with variable photon energy
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journal
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March 1989 |
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 |
A Pseudotetrahedral Uranium(V) Complex
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journal
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June 2018 |
4f occupation and hybridization from M-shell excitations in Rare-Earth materials
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journal
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February 1985 |
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 |
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 |
Application of the Hubbard Model to Cp* 2 Yb(bipy), a Model System for Strong Exchange Coupling in Lanthanide Systems
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journal
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September 2012 |
Flipping the Oxidation State Formalism: Charge Distribution in Organometallic Complexes As Reported by Carbon Monoxide
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journal
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January 2017 |
Relativistic Density Functional Study of the Geometry, Electronic Transitions, Ionization Energies, and Vibrational Frequencies of Protactinocene, Pa(η 8 -C 8 H 8 ) 2
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journal
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November 1998 |
Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study
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journal
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January 2013 |
Coulomb blockade and the Kondo effect in single-atom transistors
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journal
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June 2002 |
Towards understanding of lanthanide–transition metal bonding: investigations of the first Ce–Fe bonded complex
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journal
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January 2018 |
Chelate-Free Synthesis of the U(II) Complex, [(C 5 H 3 (SiMe 3 ) 2 ) 3 U] 1– , Using Li and Cs Reductants and Comparative Studies of La(II) and Ce(II) Analogs
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journal
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August 2018 |
Tetravalent cerium carbene complexes
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journal
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January 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 |
Core Level Spectroscopy of Solids
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January 2008 |
Self-Contained Kondo Effect in Single Molecules
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journal
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December 2005 |
Energy-Degeneracy-Driven Covalency in Actinide Bonding
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journal
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December 2018 |
Wasserstoff-Verschiebungen, II. Über das thermische Gleichgewicht zwischen Cyclooctatrien-(1.3.6) und Cyclooctatrien-(1.3.5)
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February 1964 |
Density‐functional thermochemistry. III. The role of exact exchange
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journal
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April 1993 |
Bonding Trends Traversing the Tetravalent Actinide Series: Synthesis, Structural, and Computational Analysis of An IV ( Ar acnac) 4 Complexes (An = Th, U, Np, Pu; Ar acnac = Ar N C(Ph)CHC(Ph) O ; Ar = 3,5- t Bu 2 C 6 H 3 )
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journal
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July 2012 |
Electronic structure and spectra of uranocene
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journal
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March 1989 |
A Relativistic Study of the Electronic and Magnetic Properties of Cerocene and Thorocene and Its Anions
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journal
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April 2012 |
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 |
Covalency in Americium(III) Hexachloride
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journal
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June 2017 |
Optimization of analysis of soft X-ray spectromicroscopy at the Ca 2p edge
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journal
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June 2009 |
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 |
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 |
Narrowing Due to Valence Mixing in the 3d Core Level Spectra for Ce Compounds
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journal
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July 1988 |
Chelation and stabilization of berkelium in oxidation state +IV
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journal
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April 2017 |
The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory
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journal
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January 2016 |
Bond Covalency and Oxidation State of Actinide Ions Complexed with Therapeutic Chelating Agent 3,4,3-LI(1,2-HOPO)
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journal
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April 2018 |
An Alkali Metal-Capped Cerium(IV) Imido Complex
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journal
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May 2016 |
Resonant inelastic x-ray scattering at the Ce L 3 edge of CePO 4 and CeO 2 : Implications for the valence of CeO 2 and related phenomena
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journal
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July 2005 |
Pentavalent Lanthanide Compounds: Formation and Characterization of Praseodymium(V) Oxides
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journal
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April 2016 |
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 |
Structures of organo-f-element compounds differing in the oxidation state of the central metal: crystal structures of bis([8]annulene) complexes of cerium(IV), ytterbium(III), and uranium(III)
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journal
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June 1991 |
Sulfur K-edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory of Dithiophosphinate Extractants: Minor Actinide Selectivity and Electronic Structure Correlations
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journal
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August 2012 |
Uncovering the Origin of Divergence in the CsM(CrO 4 ) 2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis
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journal
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January 2018 |
Emergence of the structure-directing role of f-orbital overlap-driven covalency
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journal
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February 2019 |
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 |
A computational investigation of orbital overlap versus energy degeneracy covalency in [UE 2 ] 2+ (E = O, S, Se, Te) complexes
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journal
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January 2020 |
New 7r-cyclooctate'I'raenyl and iT-cyclopentadienyl complexes of cerium
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journal
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July 1976 |
Lanthanide(III) complexes with cyclooctatetraene dianion. Synthetic chemistry, characterization, and physical properties
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journal
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December 1973 |
Orbital localization and delocalization effects in the U 5 f 2 configuration: Impurity problem
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journal
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May 1998 |
Effective core potential methods for the lanthanides
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journal
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April 1993 |
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 |
Does covalency really increase across the 5f series? A comparison of molecular orbital, natural population, spin and electron density analyses of AnCp 3 (An = Th–Cm; Cp = η 5 -C 5 H 5 )
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journal
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January 2011 |
High resolution mapping of surface reduction in ceria nanoparticles
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journal
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January 2011 |
Segmented contraction scheme for small-core actinide pseudopotential basis sets
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journal
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March 2004 |
Elucidating bonding preferences in tetrakis(imido)uranate(VI) dianions
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journal
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April 2017 |
The electronic structure of actinide-containing molecules: a challenge to applied quantum chemistry
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journal
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July 1991 |
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 |
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 |
Ligand K-edge X-ray absorption spectroscopy: covalency of ligand–metal bonds
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journal
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January 2005 |
Magnetic circular dichroism of UCl 6 − in the ligand-to-metal charge-transfer spectral region
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journal
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January 2017 |