Résultat(s) 1 - 10 résultats de 10 pour la requête 'Karton, Amir', Temps de recherche: 1,83s Affiner les résultats
  1. 1
    Assessment of DLPNO-CCSD(T)-F12 and its use for the formulation of the low-cost and reliable L-W1X composite method
    Autres auteurs: “...Karton, Amir...”

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  2. 2
    Graphene-induced planarization of cyclooctatetraene derivatives
    Autres auteurs: “...Karton, Amir...”

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  3. 3
    Evaluation of density functional theory for a large and diverse set of organic and inorganic equilibrium structures

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

    Article en ligne

  5. 5
    Kinetics and Thermodynamics of Reactions Involving Criegee Intermediates An Assessment of Density Functional Theory and Ab Initio Methods Through Comparison with CCSDT(Q)/CBS Data
    Autres auteurs: “...Karton, Amir...”

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  6. 6
    A computational foray into the mechanism and catalysis of the adduct formation reaction of guanine with crotonaldehyde
    Autres auteurs: “...Karton, Amir...”

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  7. 7
    How reliable is DFT in predicting relative energies of polycyclic aromatic hydrocarbon isomers? comparison of functionals from different rungs of jacob's ladder

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  8. 8
    W4-17 A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods

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  9. 9
    Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures

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  10. 10
    Accurate reaction barrier heights of pericyclic reactions Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies

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