Treffer 1 - 20 von 28 für Suche 'Rusakov, Yury Yu', Suchdauer: 1,38s Treffer weiter einschränken
  1. 1
    Relativistic heavy atom effect on the 31 P NMR parameters of phosphine chalcogenides. Part 1. Chemical shifts

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  2. 2
    On the long-range relativistic effects in the 15 N NMR chemical shifts of halogenated azines
    Weitere Verfasser: “...Rusakov, Yury Yu...”

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  3. 3
    Indirect relativistic bridge and substituent effects from the 'heavy' environment on the one-bond and two-bond (13)C-(1)H spin-spin coupling constants
    Weitere Verfasser: “...Rusakov, Yury Yu...”

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  4. 4
    First example of the correlated calculation of the one-bond tellurium-carbon spin-spin coupling constants Relativistic effects, vibrational corrections, and solvent effects
    von Rusakova, Irina L
    Veröffentlicht in: Journal of computational chemistry (2016)
    Weitere Verfasser: “...Rusakov, Yury Yu...”

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  5. 5
    Normal halogen dependence of 13 C NMR chemical shifts of halogenomethanes revisited at the four-component relativistic level
    Weitere Verfasser: “...Rusakov, Yury Yu...”

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  6. 6
    MP2 calculation of (77) Se NMR chemical shifts taking into account relativistic corrections

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  7. 7
    Four-component relativistic DFT calculations of (77) Se NMR chemical shifts A gateway to a reliable computational scheme for the medium-sized organoselenium molecules
    von Rusakov, Yury Yu
    Veröffentlicht in: Journal of computational chemistry (2015)

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  8. 8
    Stereochemical behavior of geminal and vicinal 77Se-13C spin-spin coupling constants studied at the SOPPA(CC2) level taking into account relativistic corrections

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  9. 9
    Full four-component relativistic calculations of the one-bond 77Se-13C spin-spin coupling constants in the series of selenium heterocycles and their parent open-chain selenides

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  10. 10
    Relativistic effects in the one-bond spin-spin coupling constants involving selenium
    Weitere Verfasser: “...Rusakov, Yury Yu...”

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  11. 11
    Towards the versatile DFT and MP2 computational schemes for 31P NMR chemical shifts taking into account relativistic corrections
    Weitere Verfasser: “...Rusakov, Yury Yu...”

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  12. 12
    Nonempirical calculations of the one-bond (29)Si-(13)C spin-spin coupling constants taking into account relativistic and solvent corrections
    Weitere Verfasser: “...Rusakov, Yury Yu...”

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  13. 13
    One-bond 29Si-1H spin-spin coupling constants in the series of halosilanes benchmark SOPPA and DFT calculations, relativistic effects, and vibrational corrections

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  14. 14
    Structural trends of 29Si-1H spin-spin coupling constants across double bond

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  15. 15
    Stereochemical behavior of (2) J(Se,H) and (3)J(Se,H) spin-spin coupling constants across sp(3) carbons a theoretical scrutiny

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  16. 16
    Benchmark calculations of (29) Si-(1) H spin-spin coupling constants across double bond

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  17. 17
    Resonance assignments of diastereotopic CH(2) protons in the anomeric side chain of selenoglycosides by means of (2) J(Se,H) spin-spin coupling constants

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  18. 18
    Open-chain unsaturated selanyl sulfides stereochemical structure and stereochemical behavior of their 77Se-1H spin-spin coupling constants

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  19. 19
    Stereochemical behavior of (77)Se-(1)H spin-spin coupling constants in pyrazolyl-1,3-diselenanes and 1,2-diselenolane

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  20. 20
    Experimental and computational studies of nJ(77Se, 1H) selenium-proton couplings in selenoglycosides
    Weitere Verfasser: “...Rusakov, Yury Yu...”

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