Résultat(s) 1 - 11 résultats de 11 pour la requête 'Chan, Bun', Temps de recherche: 2,30s Affiner les résultats
  1. 1
    Limiting factors in the accuracy of DFT calculation for redox potentials

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  2. 2
    The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy
    Autres auteurs: “...Chan, Bun...”

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  3. 3
    Assessment of DLPNO-CCSD(T)-F12 and its use for the formulation of the low-cost and reliable L-W1X composite method

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  4. 4
    Thermochemical stabilities of giant fullerenes using density functional tight binding theory and isodesmic-type reactions
    Autres auteurs: “...Chan, Bun...”

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  5. 5
    Excitation energies expressed as orbital energies of Kohn-Sham density functional theory with long-range corrected functionals
    Autres auteurs: “...Chan, Bun...”

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  6. 6
    The reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory Method

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  7. 7
    An ONIOM investigation of the effect of conformation on bond dissociation energies in peptides

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  8. 8
    Correlation functional in screened-exchange density functional theory procedures

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  9. 9
    On the inclusion of post-MP2 contributions to double-hybrid density functionals

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  10. 10
    Performance of the OP correlation functional in relation to its formulation Influence of the exchange component and the effect of incorporating same-spin correlations

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  11. 11
    Toward the complete range separation of non-hybrid exchange-correlation functional

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