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Работы, на которые ссылается эта работа

Работ: 140

Работа: Promising density functional theory methods for predicting the structures of uranyl complexes

  1. Без названия

    ДругоеЦитирований: 1117
    ABI

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

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Статья1988Цитирований: 84
    ABI

  3. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Статья1993Цитирований: 74
    ABI

  4. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

    Yan Zhao, Donald G. Truhlar

    Статья2007Цитирований: 29
    ABI

  5. Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions

    Martin Walker, Andrew J. A. Harvey, Ananya Sen +1

    Статья2013Цитирований: 17
    ABI

  6. Basis Set Exchange:  A Community Database for Computational Sciences

    Karen Schuchardt, Brett Didier, Todd Elsethagen +5

    Статья2007Цитирований: 15
    ABI

  7. Density Functionals with Broad Applicability in Chemistry

    Yan Zhao, Donald G. Truhlar

    Статья2008Цитирований: 8
    ABI

  8. Sequestering uranium from seawater: binding strength and modes of uranyl complexes with glutarimidedioxime

    Guoxin Tian, Simon J. Teat, Zhiyong Zhang +1

    Статья2012Цитирований: 6
    ABI

  9. A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

    Takeshi Yanai, David P. Tew, Nicholas C. Handy

    Статья2004Цитирований: 6
    ABI

  10. Energy-adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide

    W. Küchle, Michael Dolg, Hermann Stoll +1

    Статья1994Цитирований: 6
    ABI

  11. Tuning Amidoximate to Enhance Uranyl Binding: A Density Functional Theory Study

    Carter W. Abney, Shubin Liu, Wenbin Lin

    Статья2013Цитирований: 5
    ABI

  12. Coordination chemistry in the ocean

    Yi Lu

    Другое2014Цитирований: 4
    ABI

  13. A protein engineered to bind uranyl selectively and with femtomolar affinity

    Lu Zhou, Mike Bosscher, Changsheng Zhang +8

    Статья2014Цитирований: 4
    ABI

  14. The Chemistry of the Actinide and Transactinide Elements

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

    Книга2006Цитирований: 3
    ABI

  15. 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

    Статья2006Цитирований: 3
    ABI

  16. Theoretical studies of UO2(OH)(H2O)n+, UO2(OH)2(H2O)n, NpO2(OH)(H2O)n, and PuO2(OH)(H2O)n+ (n≤21) complexes in aqueous solution

    Zhiji Cao, K. Balasubramanian

    Статья2009Цитирований: 3
    ABI

  17. Gas-Phase Chemistry of Actinides Ions:  New Insights into the Reaction of UO<sup>+</sup>and UO<sup>2+</sup>with Water

    María del Carmen Michelini, Nino Russo, Emilia Sicilia

    Статья2007Цитирований: 3
    ABI

  18. Seawater Uranium Sorbents: Preparation from a Mesoporous Copolymer Initiator by Atom‐Transfer Radical Polymerization

    Yan‐Feng Yue, Richard T. Mayes, Jungseung Kim +6

    Статья2013Цитирований: 3
    ABI

  19. The role of databases in support of computational chemistry calculations

    David Feller

    Статья1996Цитирований: 3
    ABI

  20. Predicting the Energy of the Water Exchange Reaction and Free Energy of Solvation for the Uranyl Ion in Aqueous Solution

    Keith E. Gutowski, David A. Dixon

    Статья2006Цитирований: 2
    ABI

  21. Rational Design of Sequestering Agents for Plutonium and Other Actinides

    Anne E. V. Gorden, Jide Xu, Kenneth N. Raymond +1

    Обзорная статья2003Цитирований: 2
    ABI

  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

    Статья2013Цитирований: 2
    ABI

  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

    Статья2013Цитирований: 2
    ABI

  24. Oxo ligand functionalization in the uranyl ion (UO22+)

    Skye Fortier, Trevor W. Hayton

    Статья2009Цитирований: 2
    ABI

  25. Theoretical studies of the structures and vibrational frequencies of actinide compounds using relativistic effective core potentials with Hartree–Fock and density functional methods: UF6, NpF6, and PuF6

    P. Jeffrey Hay, Richard L. Martin

    Статья1998Цитирований: 2
    ABI