Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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January 2005 |
Metal–ligand multiple bonding in uranium: structure and reactivity
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January 2010 |
An aqueous route to [Ta6O19]8– and solid-state studies of isostructural niobium and tantalum oxide complexes
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January 2007 |
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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October 2012 |
Crystal structure of bis(tetraethylammonium) oxopentachloroprotactinate(V)
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January 1972 |
A Rare Tetranuclear Thorium(IV) μ 4 -Oxo Cluster and Dinuclear Thorium(IV) Complex Assembled by Carbon-Oxygen Bond Activation of 1,2-Dimethoxyethane (DME)
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November 2014 |
The performance of density functional theory for the description of ground and excited state properties of inorganic and organometallic uranium compounds
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February 2018 |
Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf–Pt
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April 2009 |
A short history of SHELX
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December 2007 |
Elucidating Protactinium Hydrolysis: The Relative Stabilities of PaO 2 (H 2 O) + and PaO(OH) 2 +
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July 2015 |
First Structural Characterization of a Protactinium(V) Single Oxo Bond in Aqueous Media
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December 2005 |
Synthesis of Imido Analogs of the Uranyl Ion
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December 2005 |
Covalency hinders AnO 2 (H 2 O) + → AnO(OH) 2 + isomerisation (An = Pa–Pu)
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January 2016 |
Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex
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May 2016 |
Multinuclear NMR Investigations of the Oxygen, Water, and Hydroxyl Environments in Sodium Hexaniobate
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May 2004 |
Identification of the Formal +2 Oxidation State of Plutonium: Synthesis and Characterization of {Pu II [C 5 H 3 (SiMe 3 ) 2 ] 3 } −
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March 2017 |
Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y–Pd
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March 2007 |
Synthesis and Characterization of a Uranium(II) Monoarene Complex Supported by δ Backbonding
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May 2014 |
Toward reliable density functional methods without adjustable parameters: The PBE0 model
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April 1999 |
Harnessing redox activity for the formation of uranium tris(imido) compounds
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July 2014 |
Elucidating bonding preferences in tetrakis(imido)uranate(VI) dianions
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April 2017 |
Peroxo complexes of niobium(V) and tantalum(V)
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October 2006 |
Synthesis and Structural Characterization of the First Uranium Cluster Containing an Isopolyoxometalate Core
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September 2001 |
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
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January 1993 |
Recent developments in actinide–ligand multiple bonding
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January 2013 |
The Renaissance of Non-Aqueous Uranium Chemistry
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June 2015 |
A fast and robust algorithm for Bader decomposition of charge density
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June 2006 |
Synthesis and Properties of a Fifteen-Coordinate Complex: The Thorium Aminodiboranate [Th(H3BNMe2BH3)4]
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March 2010 |
Covalency in f-element complexes
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January 2013 |
Bent cis d0 MoO22+ vs. linear trans d0f0 UO22+: a significant role for nonvalence 6p orbitals in uranyl
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journal
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September 1980 |
Reliable Potential Energy Surfaces for the Reactions of H 2 O with ThO 2 , PaO 2 + , UO 2 2+ , and UO 2 +
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November 2015 |
Clusters of Actinides with Oxide, Peroxide, or Hydroxide Bridges
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October 2012 |
The Preparation of Some Protactinium Compounds and the Metal 1
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December 1954 |
NBO 6.0 : Natural bond orbital analysis program
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March 2013 |
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 |
Theoretical Studies on Hexanuclear Oxometalates [M 6 L 19 ] q − (M = Cr, Mo, W, Sg, Nd, U). Electronic Structures, Oxidation States, Aromaticity, and Stability
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journal
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July 2015 |
Covalency in the uranyl ion: A polarized x-ray spectroscopic study
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November 2002 |
Isolation and characterization of a uranium(VI)–nitride triple bond
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May 2013 |
Synthesis, Structure, and Reactivity of a Tetranuclear Cerium(IV) Oxo Cluster Supported by the Kläui Tripodal Ligand [Co(η 5 -C 5 H 5 ){P(O)(OEt) 2 } 3 ] −
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journal
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September 2015 |
Structural and Spectroscopic Studies of Fluoroprotactinates
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January 2014 |
Towards a first principles prediction of p K a : COSMO-RS and the cluster-continuum approach
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February 2010 |
Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials
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January 2003 |
Synthesis and Structure of a Terminal Uranium Nitride Complex
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June 2012 |
Segmented contraction scheme for small-core actinide pseudopotential basis sets
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March 2004 |
All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119
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journal
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March 2005 |
Synthesis and Characterization of a Uranium(II) Monoarene Complex Supported by δ Backbonding
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journal
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May 2014 |
Multinuclear NMR Investigations of the Oxygen, Water, and Hydroxyl Environments in Sodium Hexaniobate
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journal
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July 2004 |
First Structural Characterization of a Protactinium(V) Single Oxo Bond in Aqueous Media.
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journal
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February 2006 |
Taking a snapshot of the triplet excited state of an OLED organometallic luminophore using X-rays
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journal
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May 2020 |
Synthesis and Structural Characterization of the First Uranium Cluster Containing an Isopolyoxometalate Core
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journal
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September 2001 |
Synthesis and Properties of a Fifteen-Coordinate Complex: The Thorium Aminodiboranate [Th(H3BNMe2BH3)4]
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journal
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March 2010 |
ChemInform Abstract: Does Covalency Increase or Decrease Across the Actinide Series? Implications for Minor Actinide Partitioning.
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journal
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April 2013 |
Investigations on the E/Z-isomerism of neonicotinoids
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July 2020 |
Structural dynamics of basaltic melt at mantle conditions with implications for magma oceans and superplumes
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September 2020 |
Quantification of f-element covalency through analysis of the electron density: insights from simulation
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January 2017 |