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Résultat(s) 1 - 15 résultats de 15 pour la requête '"COSMO"', Temps de recherche: 0,94s Affiner les résultats
  1. 1
    pKa prediction in non-aqueous solvents
    Sujets: “...misc COSMO‐RS...”

    Article en ligne

  2. 2
    Extending the MST Model to Large Biomolecular Systems Parametrization of the ddCOSMO-MST Continuum Solvation Model
    Sujets: “...misc ddCOSMO...”

    Article en ligne

  3. 3
    Ionic liquid-based dispersive liquid-liquid microextraction of succinic acid from aqueous streams COSMO-RS screening and experimental verification
    par Khan, Huma Warsi
    Publié dans: Environmental technology (2024)
    Sujets: “...misc COSMO-RS...”

    Article en ligne

  4. 4
    Impact of dielectric constant of solvent on the formation of transition metal-ammine complexes
    Sujets: “...misc COSMO...”

    Article en ligne

  5. 5
    Performance of the COSMO solvation model for photoacidity and basicity in water
    Sujets: “...misc COSMO...”

    Article en ligne

  6. 6
    Prediction of acid pKa values in the solvent acetone based on COSMO-RS
    Sujets: “...misc COSMO-RS...”

    Article en ligne

  7. 7
    Evaluation of Chemical Reactivity and Stability of Ionic Liquids Using Ab Initio and COSMO-RS model
    Sujets: “...misc COSMO-RS model...”

    Article en ligne

  8. 8
    A refined cavity construction algorithm for the conductor-like screening model
    Sujets: “...misc COSMO...”

    Article en ligne

  9. 9
    A computational study of samarium diiodide-induced cyclizations of N-oxoalkyl-substituted methyl indole-3-carboxylates-A rationale of the diastereoselectivity
    Sujets: “...misc direct COSMO-RS...”

    Article en ligne

  10. 10
    Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materials
    Sujets: “...misc COSMO...”

    Article en ligne

  11. 11
    Water solvent effects using continuum and discrete models The nitromethane molecule, CH3NO2
    Sujets: “...misc COSMO...”

    Article en ligne

  12. 12
    Comprehensive Study on the Impact of the Cation Alkyl Side Chain Length on the Solubility of Water in Ionic Liquids
    par Kurnia, Kiki A
    Publié dans: Journal of molecular liquids (2015)
    Sujets: “...misc COSMO-RS...”
    Article

  13. 13
    Predicting hydration energies for multivalent ions
    Sujets: “...misc COSMO-RS...”

    Article en ligne

  14. 14
    Quantum mechanical binding free energy calculation for phosphopeptide inhibitors of the Lck SH2 domain
    Sujets: “...misc MM/QM-COSMO...”

    Article en ligne

  15. 15
    Zwei Briefe Colinis an Voltaire.
    Sujets: “...2506 Colini, Alessandro Cosmo...”
    Article

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