human | Q5 |
P496 | ORCID iD | 0000-0003-4726-2860 |
P214 | VIAF ID | 78149066531365601214 |
P7859 | WorldCat Identities ID (superseded) | viaf-78149066531365601214 |
P108 | employer | Los Alamos National Laboratory | Q379848 |
Pacific Northwest National Laboratory | Q1076890 | ||
P106 | occupation | researcher | Q1650915 |
Q93195236 | "Sweeping" Ortho Substituents Drive Desolvation and Overwhelm Electronic Effects in Nd3+ Chelation: A Case of Three Aryldithiophosphinates |
Q89429528 | A Pseudotetrahedral Uranium(V) Complex |
Q91635915 | Advancing Chelation Chemistry for Actinium and Other +3 f-Elements, Am, Cm, and La |
Q48138901 | Assessment of Tuned Range Separated Exchange Functionals for Spectroscopies and Properties of Uranium Complexes |
Q52602861 | Bond Covalency and Oxidation State of Actinide Ions Complexed with Therapeutic Chelating Agent 3,4,3-LI(1,2-HOPO). |
Q55074650 | Bond-bending isomerism of Au2I3–: competition between covalent bonding and aurophilicity† †Electronic supplementary information (ESI) available: Supplementary figures and tables. See DOI: 10.1039/c5sc03568f. |
Q50453243 | Cation-cation interactions, magnetic communication, and reactivity of the pentavalent uranium ion [U(NtBu)2]+. |
Q40400327 | Characterization of berkelium(III) dipicolinate and borate compounds in solution and the solid state |
Q98650846 | Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field |
Q62088521 | Competitive Interactions Within Cm(III) Solvation in Binary Water/Methanol Solutions |
Q102208176 | Computer-Assisted Design of Macrocyclic Chelators for Actinium-225 Radiotherapeutics |
Q52344907 | Coordination Chemistry of a Strongly-Donating Hydroxylamine with Early Actinides: An Investigation of Redox Properties and Electronic Structure. |
Q59673431 | Covalency Trends in Group IV Metallocene Dichlorides. Chlorine K-Edge X-Ray Absorption Spectroscopy and Time Dependent-Density Functional Theory |
Q46260022 | Covalency in Americium(III) Hexachloride. |
Q34563974 | Covalency in metal-oxygen multiple bonds evaluated using oxygen K-edge spectroscopy and electronic structure theory. |
Q46968942 | Covalently bound tetracoordinated organoborons as superhalogens: a combined negative ion photoelectron spectroscopy and theoretical study |
Q92227995 | Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex |
Q44879659 | Determining relative f and d orbital contributions to M-Cl covalency in MCl6(2-) (M = Ti, Zr, Hf, U) and UOCl5(-) using Cl K-edge X-ray absorption spectroscopy and time-dependent density functional theory |
Q89801140 | Development of Density Functional Tight-Binding Parameters Using Relative Energy Fitting and Particle Swarm Optimization |
Q84597266 | Dinuclear metalloradicals featuring unsupported metal-metal bonds |
Q62553815 | Dissociative Binding of Carboxylic Acid Ligand on Nanoceria Surface in Aqueous Solution: A Joint In Situ Spectroscopic Characterization and First-Principles Study |
Q46364229 | Diversity of Chemical Bonding and Oxidation States in MS4 Molecules of Group 8 Elements |
Q84784981 | Electronic and magnetic properties of C-adsorbed graphene: a first-principles study |
Q83671319 | Electronic and magnetic properties of substituted BN sheets: a density functional theory study |
Q46126900 | Electronic structure of self-assembled amorphous polyfluorenes |
Q86814353 | Electronic structures and magnetic properties of MoS2 nanostructures: atomic defects, nanoholes, nanodots and antidots |
Q90425670 | Energy-Degeneracy-Driven Covalency in Actinide Bonding |
Q42217732 | Evaluating the electronic structure of formal LnII ions in LnII(C5H4SiMe3)31- using XANES spectroscopy and DFT calculations |
Q39837991 | Experimental and theoretical comparison of the O K-edge nonresonant inelastic X-ray scattering and X-ray absorption spectra of NaReO4. |
Q53082248 | Extending Stannyl Anion Chemistry to the Actinides: Synthesis and Characterization of a Uranium-Tin Bond. |
Q93049289 | Halide anion discrimination by a tripodal hydroxylamine ligand in gas and condensed phases |
Q92819420 | Homoleptic Imidophosphorane Stabilization of Tetravalent Cerium |
Q60189370 | Identification of the Formal +2 Oxidation State of Neptunium: Synthesis and Structural Characterization of {NpII[C5H3(SiMe3)2]3}1– |
Q80691601 | Imido exchange in bis(imido) uranium(VI) complexes with aryl isocyanates |
Q92932326 | Impact of Ligand Substitutions on Multielectron Redox Properties of Fe Complexes Supported by Nitrogenous Chelates |
Q88944361 | Influence of Substituents on the Electronic Structure of Mono- and Bis(phosphido) Thorium(IV) Complexes |
Q51917338 | Influence of metal cations on the intramolecular hydrogen-bonding network and pKa in phosphorylated compounds. |
Q92945129 | Interdisciplinary Round-Robin Test on Molecular Spectroscopy of the U(VI) Acetate System |
Q50249500 | Intramolecular sensitization of americium luminescence in solution: shining light on short-lived forbidden 5f transitions. |
Q89275322 | Investigation of trimethylacetic acid adsorption on stoichiometric and oxygen-deficient CeO2(111) surfaces |
Q43514948 | Isolation of two agostic isomers of an organometallic cation: different structures and colors. |
Q57177236 | Ligand induced shape transformation of thorium dioxide nanocrystals |
Q102134942 | Mechanistic Study of the Production of NOx Gases from the Reaction of Copper with Nitric Acid |
Q46536441 | Numerical Optimization of Density Functional Tight Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen. |
Q40481926 | On the Origin of Covalent Bonding in Heavy Actinides. |
Q43233717 | Oxidative addition to U(V)-U(V) dimers: facile routes to uranium(VI) bis(imido) complexes. |
Q83610467 | Oxygen-induced magnetic properties and metallic behavior of a BN sheet |
Q57796394 | Plutonium coordination and redox chemistry with the CyMe-BTPhen polydentate N-donor extractant ligand |
Q47206431 | Quantum chemistry of the minimal CdSe clusters |
Q113314717 | Relativistic Effects in Modeling the Ligand K-Edge X-ray Absorption Near-Edge Structure of Uranium Complexes |
Q59787472 | Revisiting complexation thermodynamics of transplutonium elements up to einsteinium |
Q101464159 | SCC-DFTB Parameters for Fe-C Interactions |
Q91416983 | Soft-donor dipicolinamide derivatives for selective actinide(iii)/lanthanide(iii) separation: the role of S- vs. O-donor sites |
Q59753168 | Solid-State55Mn NMR Spectroscopy of Bis(μ-oxo)dimanganese(IV) [Mn2O2(salpn)2], a Model for the Oxygen Evolving Complex in Photosystem II |
Q52688877 | Spectroscopic and Computational Characterization of Diethylenetriaminepentaacetic Acid/Transplutonium Chelates: Evidencing Heterogeneity in the Heavy Actinide(III) Series. |
Q62088542 | Structural and Thermodynamic Properties of the CmIII Ion Solvated by Water and Methanol |
Q46796445 | Synergy of intramolecular hydrogen-bonding network in myo-inositol 2-monophosphate: theoretical investigations into the electronic structure, proton transfer, and pKa. |
Q53115665 | Synthesis, Characterization, and Density Functional Theory Analysis of Uranium and Thorium Complexes Containing Nitrogen-Rich 5-Methyltetrazolate Ligands. |
Q80062356 | Systematic studies of early actinide complexes: thorium(IV) fluoroketimides |
Q80780632 | Systematic studies of early actinide complexes: uranium(IV) fluoroketimides |
Q43792530 | Tetrahalide complexes of the [U(NR)2]2+ ion: synthesis, theory, and chlorine K-edge X-ray absorption spectroscopy |
Q39651517 | The roles of 4f- and 5f-orbitals in bonding: a magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study |
Q93246793 | Tight-Binding Modeling of Uranium in an Aqueous Environment |
Q46298049 | Trends in covalency for d- and f-element metallocene dichlorides identified using chlorine K-edge X-ray absorption spectroscopy and time-dependent density functional theory |
Q98395796 | Unraveling the structural stability and the electronic structure of ThO2 clusters |
Q83348271 | Uranium(VI) bis(imido) chalcogenate complexes: synthesis and density functional theory analysis |
Q92694181 | [Am(C5 Me4 H)3 ]: An Organometallic Americium Complex |
Q90664278 | δ and φ back-donation in AnIV metallacycles |
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