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Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures

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Understanding electrostatics and covalency effects in highly anisotropic organometallic sandwich dysprosium complexes [Dy(CmRm)2] (where R = H, SiH3, CH3 and m = 4 to 9): a computational perspective

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Toward synergy of carbon and La2O3 in their hybrid as an efficient catalyst for the oxygen reduction reaction

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The chemical and physical properties of tetravalent lanthanides: Pr, Nd, Tb, and Dy

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From Ln2O2S to Ln10OS14: exploring the sulphur spectrum of trivalent lanthanoid oxysulphides

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Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework

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Chem. Sci., 2020, 11, 4648
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Structural and optical characterisation of silanised Dy-doped-Gd2O3 NPs

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Quantification of f-element covalency through analysis of the electron density: insights from simulation

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The duality of electron localization and covalency in lanthanide and actinide metallocenes

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Engineering charge transfer doping of MoSe2 monolayers via epitaxial orientation-dependent surface electron accumulation in high-κ dielectric Gd2O3 thin films

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First-principles prediction of high oxygen-ion conductivity in trilanthanide gallates Ln3GaO6

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Science and Technology of Advanced Materials, 2019, 20, 144
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Intermediate Valence States in Lanthanide Compounds

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Flash Communication: Boron K-edge XAS and TDDFT Studies of Covalent Metal–Ligand Bonding in Ni(C2B9H11)2

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Surface-Phase Engineering via Lanthanum Doping Enables Enhanced Electrochemical Performance of Li-Rich Layered Cathode

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ACS Appl. Energy Mater., 2022, 5, 9648
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Average and local ordering of Yb2(Ti2-Yb )O7-/2 ‘stuffed’ pyrochlores: The development of a robust structural model

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Homoleptic Imidophosphorane Stabilization of Tetravalent Cerium

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Inorg. Chem., 2019, 58, 5289
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The Counterintuitive Relationship between Orbital Energy, Orbital Overlap, and Bond Covalency in CeF62– and CeCl62–

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Exploring Covalency in f-Element Complexes: Dithiocarbamate Ligands Reveal Differences Between Heavy Actinides and Lanthanides

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Inorg. Chem., 2025, 64, 3747
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A Macrocyclic Chelator That Selectively Binds Ln4+ over Ln3+ by a Factor of 1029

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Inorg. Chem., 2016, 55, 9989
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Solution and Solid‐State Ligand K‐Edge XAS Studies of PdCl2 Diphosphine Complexes with Phenyl and Cyclohexyl Substituents

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Improved Structural Properties in Homogeneously Doped Sm0.4Ce0.6O2−δ Epitaxial Thin Films: High Doping Effect on the Electronic Bands

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ACS Appl. Mater. Interfaces, 2020, 12, 47556
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Solubility of Nanocrystalline Cerium Dioxide: Experimental Data and Thermodynamic Modeling

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J. Phys. Chem. C, 2016, 120, 22615
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Involvement of 5f Orbitals in the Covalent Bonding between the Uranyl Ion and Trialkyl Phosphine Oxide: Unraveled by Oxygen K-Edge X-ray Absorption Spectroscopy and Density Functional Theory

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Inorg. Chem., 2022, 61, 92
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Effect of Long- and Short-Range Disorder on the Oxygen Ionic Conductivity of Tm2(Ti2–xTmx)O7–x/2 “Stuffed” Pyrochlores

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Inorg. Chem., 2021, 60, 4517
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Fluorine induced surface reconstruction of perovskite ferrite oxide as cathode catalyst for prolong-life Li-O2 battery

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Ab Initio Ligand-Field Theory Analysis and Covalency Trends in Actinide and Lanthanide Free Ions and Octahedral Complexes

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Inorg. Chem., 2017, 56, 8802
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Topological Study of Bonding in Aquo and Bis(triazinyl)pyridine Complexes of Trivalent Lanthanides and Actinides: Does Covalency Imply Stability?

Izaak Fryer-Kanssen, Jonathan Austin and Andrew Kerridge

Inorg. Chem., 2016, 55, 10034
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Effect of Varying Rare-Earth Cations on the Electronic Structure of RCrO3 Perovskites

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Decomposition of d- and f-Shell Contributions to Uranium Bonding from the Quantum Theory of Atoms in Molecules: Application to Uranium and Uranyl Halides

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Inorganics, 2018, 6, 88
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Quantum Chemistry Study on the Extraction of Trivalent Lanthanide Series by Cyanex301: Insights from Formation of Inner- and Outer-Sphere Complexes

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ACS Omega, 2018, 3, 4070
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Unraveling the electronic structures in different phases of gadolinium sesquioxides performed by electron energy loss spectroscopy

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AIP Advances, 2020, 10
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Analyzing the Intensities of K-Edge Transitions in X2 Molecules (X = F, Cl, Br) for Use in Ligand K-Edge X-ray Absorption Spectroscopy

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Oxygen K-edge X-ray Absorption Spectra

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Chem. Rev., 2020, 120, 4056
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Role of intermediate 4f states in tuning the band structure of high entropy oxides

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APL Materials, 2020, 8
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Analysis of charge density in nonaaquagadolinium(III) trifluoromethanesulfonate – insight into GdIII—OH2 bonding

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Acta Crystallogr B Struct Sci Cryst Eng Mater, 2020, 76, 572
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Are 4f-Orbitals Engaged in Covalent Bonding Between Lanthanides and Triphenylphosphine Oxide? An Oxygen K-Edge X-ray Absorption Spectroscopy and Density Functional Theory Study

Yusheng Zhang, Wuhua Duan, Yuning Yang, Zhijin Zhao, Guoxi Ren, Nian Zhang, Lei Zheng, Jing Chen, Jianchen Wang and Taoxiang Sun

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Chemical and Morphological Inhomogeneity of Aluminum Metal and Oxides from Soft X-ray Spectromicroscopy

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Inorg. Chem., 2017, 56, 5710
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Charge transfer-induced fast blue emission in SrZnO2:Ce

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Applied Physics Letters, 2021, 119
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Catalytic properties of trivalent rare-earth oxides with intrinsic surface oxygen vacancy

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Nat Commun, 2024, 15
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Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO2, PrO2, and TbO2

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Tracking Internal Electron Shuttle Using X-ray Spectroscopies in La/Zr Hydroxide for Reconciliation of Charge-Transfer Interaction and Coordination toward Phosphate

Chao Xiang, Hongjie Wang, Qinghua Ji, Gong Zhang and Jiuhui Qu

ACS Appl. Mater. Interfaces, 2019, 11, 24699
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Electronic Structure and Properties of Berkelium Iodates

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Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency

Kirill D. Shumilov, Andrew J. Jenkins, Henry S. La Pierre, Bess Vlaisavljevich and Xiaosong Li

J. Am. Chem. Soc., 2024, 146, 12030
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Luminescence spectroscopy of anomalous Eu3+ in ternary aluminates: Experimental evidence for covalent bonding of 4f-orbitals of lanthanides

Jafar Afshani, Teresa Delgado, Arnulf Rosspeintner and Hans Hagemann

Journal of Luminescence, 2023, 263, 120043
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Chemical design of electronic and magnetic energy scales of tetravalent praseodymium materials

Arun Ramanathan, Jensen Kaplan, Dumitru-Claudiu Sergentu, Jacob A. Branson, Mykhaylo Ozerov, Alexander I. Kolesnikov, Stefan G. Minasian, Jochen Autschbach, John W. Freeland, Zhigang Jiang, Martin Mourigal and Henry S. La Pierre

Nat Commun, 2023, 14
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Crystal Field in Rare‐Earth Complexes: From Electrostatics to Bonding

Riccardo Alessandri, Habiburrahman Zulfikri, Jochen Autschbach and Hélène Bolvin

Chemistry A European J, 2018, 24, 5538
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