Résultat(s) 1 - 12 résultats de 12 pour la requête 'Samultsev, Dmitry O', Temps de recherche: 1,06s Affiner les résultats
  1. 1
    Four-component relativistic calculations of NMR shielding constants of the transition metal complexes. Part 1 Pentaammines of cobalt, rhodium, and iridium

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  2. 2
    The 1 H and 13 C NMR chemical shifts of Strychnos alkaloids revisited at the DFT level
    Autres auteurs: “...Samultsev, Dmitry O...”

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  3. 3
    DFT computational schemes for 15 N NMR chemical shifts of the condensed nitrogen-containing heterocycles
    Autres auteurs: “...Samultsev, Dmitry O...”

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  4. 4
    GIAO-DFT calculation of 15 N NMR chemical shifts of Schiff bases Accuracy factors and protonation effects
    Autres auteurs: “...Samultsev, Dmitry O...”

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  5. 5
    Substitution effects in the 15 N NMR chemical shifts of heterocyclic azines evaluated at the GIAO-DFT level
    Autres auteurs: “...Samultsev, Dmitry O...”

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  6. 6
    On the long-range relativistic effects in the 15 N NMR chemical shifts of halogenated azines

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  7. 7
    On the accuracy factors and computational cost of the GIAO-DFT calculation of 15 N NMR chemical shifts of amides

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  8. 8
    Normal halogen dependence of 13 C NMR chemical shifts of halogenomethanes revisited at the four-component relativistic level

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  9. 9
    Theoretical and experimental study of 15N NMR protonation shifts
    Autres auteurs: “...Samultsev, Dmitry O...”

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  10. 10
    Theoretical and experimental (15)N NMR study of enamine-imine tautomerism of 4-trifluoromethyl[b]benzo-1,4-diazepine system
    Autres auteurs: “...Samultsev, Dmitry O...”

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  11. 11
    On the accuracy of the GIAO-DFT calculation of 15N NMR chemical shifts of the nitrogen-containing heterocycles--a gateway to better agreement with experiment at lower computational cost

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  12. 12
    Solvent effects in the GIAO-DFT calculations of the 15N NMR chemical shifts of azoles and azines
    Autres auteurs: “...Samultsev, Dmitry O...”

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