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Works cited by this work

55 works

Work: Ab initio molecular dynamics study of the interaction of plutonium with oxygen in the gas phase

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

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

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  4. Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

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

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  5. Density-functional exchange-energy approximation with correct asymptotic behavior

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  6. Toward reliable density functional methods without adjustable parameters: The PBE0 model

    Carlo Adamo, Vincenzo Barone

    Article199915 citations
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  7. Formulation of the reaction coordinate

    Ken–ichi Fukui

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  8. Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

    Matthias Ernzerhof, Gustavo E. Scuseria

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

    W. Küchle, Michael Dolg, Hermann Stoll +1

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  10. Generalized gradient approximation for the exchange-correlation hole of a many-electron system

    John P. Perdew, Kieron Burke, Yue Wang

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  11. A new mixing of Hartree–Fock and local density-functional theories

    Axel D. Becke

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  12. Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca

    Jean‐Philippe Blaudeau, Mark P. McGrath, Larry A. Curtiss +1

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  13. 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

    Article20073 citations
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  14. ELF: The Electron Localization Function

    Andreas Savin, Reinhard Nesper, Steffen Wengert +1

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

    Axel D. Becke, Kenneth E. Edgecombe

    Article19902 citations
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  16. New developments in gas-phase actinide ion chemistry

    John K. Gibson, Joaquim Marçalo

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