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Works cited by this work

93 works

Work: Crown ether complexes of actinyls: a computational assessment of AnO<sub>2</sub>(15-crown-5)<sup>2+</sup>(An = U, Np, Pu, Am, Cm)

  1. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Article198884 citations
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  2. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

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  3. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Article196544 citations
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  4. Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

    R. D. Shannon

    Article197630 citations
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  5. Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

    R. Krishnan, J. Stephen Binkley, Rolf Seeger +1

    Article198029 citations
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  6. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

    Alan E. Reed, Larry A. Curtiss, Frank Weinhold

    Review article19888 citations
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  7. Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18

    A. D. McLean, G. S. Chandler

    Article19807 citations
    ABI

  8. Natural population analysis

    Alan E. Reed, Robert B. Weinstock, Frank Weinhold

    Article19857 citations
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  9. Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

    Rick A. Kendall, Thom H. Dunning, Robert J. Harrison

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  10. Untitled

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  11. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

    Andreas Klamt, Gerrit Schüürmann

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  12. Investigation of Aquo and Chloro Complexes of UO<sub>2</sub><sup>2+</sup>, NpO<sub>2</sub><sup>+</sup>, Np<sup>4+</sup>, and Pu<sup>3+</sup> by X-ray Absorption Fine Structure Spectroscopy

    P. G. Allen, J. J. Bucher, David K. Shuh +2

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  13. Uranium(VI) bio-coordination chemistry from biochemical, solution and protein structural data

    J VANHORN, Hsu‐Shan Huang

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  14. Covalency in f-element complexes

    Michael L. Neidig, David L. Clark, Richard L. Martin

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  15. The Chemistry of the Actinide and Transactinide Elements

    Lester R. Morss, Edelstein, Norman M., J. Fuger +1

    Book20063 citations
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  16. Rationale for mixing exact exchange with density functional approximations

    John P. Perdew, Matthias Ernzerhof, Kieron Burke

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  17. Valence basis sets for relativistic energy-consistent small-core lanthanide pseudopotentials

    Xiaoyan Cao, Michael Dolg

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  18. Vibrational Spectroscopy of Mass-Selected [UO<sub>2</sub>(ligand)<i><sub>n</sub></i>]<sup>2+</sup>Complexes in the Gas Phase:  Comparison with Theory

    Gary S. Groenewold, Anita K. Gianotto, Kevin C. Cossel +6

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  19. Segmented contraction scheme for small-core actinide pseudopotential basis sets

    Xiaoyan Cao, Michael Dolg

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  20. Incorporating Size Selectivity into Synergistic Solvent Extraction:  A Review of Crown Ether-Containing Systems

    Andrew H. Bond, Mark L. Dietz, R. Chiarizia

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  21. Charge, bond order and valence in the AB initio SCF theory

    I. Mayer

    Article19832 citations
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  22. Experimental and Theoretical Studies on the Fragmentation of Gas-Phase Uranyl–, Neptunyl–, and Plutonyl–Diglycolamide Complexes

    Yu Gong, Han‐Shi Hu, Linfeng Rao +2

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  23. Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO<sub>2</sub>X<sub>3</sub><sup>–</sup> (X = F, Cl, Br, I): Competition between Coulomb Repulsion and U–X Bonding

    Jing Su, Phuong D. Dau, Yiheng Qiu +5

    Article20132 citations
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  24. Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning

    Nikolas Kaltsoyannis

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  25. A simple measure of electron localization in atomic and molecular systems

    Axel D. Becke, Kenneth E. Edgecombe

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