Leonid B Krivdin

Summary

Affiliation: Irkutsk State University
Country: Russia

Publications

  1. ncbi request reprint Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 10--carbocages
    Leonid B Krivdin
    Department of Chemistry, Technical Academy of Angarsk, Tchaikovsky Avenue 60, 665835 Angarsk, Russia
    Magn Reson Chem 42:919-30. 2004
  2. ncbi request reprint Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 11--saturated carbocycles: a reference data set and a practical guide to structural elucidation
    Leonid B Krivdin
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky Street 1, 664033 Irkutsk, Russia
    Magn Reson Chem 43:101-16. 2005
  3. ncbi request reprint Nonempirical calculations of NMR indirect spin-spin coupling constants. Part 14: azomethines of the alpha, beta-unsaturated aldehydes
    Leonid B Krivdin
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 44:178-87. 2006
  4. ncbi request reprint Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 6: propellanes
    Leonid B Krivdin
    Department of Chemistry, Technical Academy of Angarsk, Tchaikovsky Avenue 60, 665835 Angarsk, Russia
    Magn Reson Chem 42:1-13. 2004
  5. ncbi request reprint Non-empirical calculations of NMR indirect spin-spin coupling constants. Part 13: configurational assignment of aminosulfonylamidines
    Leonid B Krivdin
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 43:937-42. 2005
  6. ncbi request reprint Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 12--aliphatic and alicyclic oximes
    Leonid B Krivdin
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 43:435-43. 2005
  7. ncbi request reprint Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 7--spiroalkanes
    Leonid B Krivdin
    Department of Chemistry, Technical Academy of Angarsk, Tchaikovsky Ave 60, Angarsk 665835, Russia
    Magn Reson Chem 42:500-11. 2004
  8. doi request reprint Open-chain unsaturated selanyl sulfides: stereochemical structure and stereochemical behavior of their 77Se-1H spin-spin coupling constants
    Yury Yu Rusakov
    AE Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia
    Magn Reson Chem 50:653-8. 2012
  9. doi request reprint Conformational analysis and stereochemical dependences of (31)P-(1)H spin-spin coupling constants of bis(2-phenethyl)vinylphosphine and related phosphine chalcogenides
    Sergey V Fedorov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 47:288-99. 2009
  10. doi request reprint Stereochemical behavior of (2) J(Se,H) and (3)J(Se,H) spin-spin coupling constants across sp(3) carbons: a theoretical scrutiny
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Russian Academy of Sciences, Siberian Branch, Irkutsk, Russia
    Magn Reson Chem 50:557-62. 2012

Collaborators

  • Lyudmila I Larina
  • Boris A Trofimov
  • Valentine P Ananikov
  • Yury Yu Rusakov
  • Irina L Rusakova
  • Sergey V Fedorov
  • Vladimir A Potapov
  • Svetlana V Amosova
  • Kirill A Chernyshev
  • Dmitry O Samultsev
  • Valentin A Semenov
  • Alexander V Kisin
  • Valentina M Nosova
  • Maxim V Penzik
  • Stephan P A Sauer
  • Natalia V Istomina
  • Alexander Yu Rulev
  • Freja F Østerstrøm
  • Katalin E Kövér
  • Alexandra A Shatrova
  • Valentin G Lakhtin
  • Lyubov K Papernaya
  • Elena A Chirkina
  • Laszlo Szilagyi
  • Ambati Ashok Kumar
  • Nikolay V Orlov
  • Galina G Levkovskaya
  • Nataliya A Chernysheva
  • Valentina L Mikhailenko
  • Ekaterina P Levanova
  • Igor A Ushakov
  • Nina K Gusarova
  • Natalia A Belogorlova
  • Svetlana F Malysheva
  • Tatiana V Konkova
  • Maria M Demina
  • Alevtina S Medvedeva

Detail Information

Publications34

  1. ncbi request reprint Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 10--carbocages
    Leonid B Krivdin
    Department of Chemistry, Technical Academy of Angarsk, Tchaikovsky Avenue 60, 665835 Angarsk, Russia
    Magn Reson Chem 42:919-30. 2004
    ....
  2. ncbi request reprint Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 11--saturated carbocycles: a reference data set and a practical guide to structural elucidation
    Leonid B Krivdin
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky Street 1, 664033 Irkutsk, Russia
    Magn Reson Chem 43:101-16. 2005
    ..Many unknown couplings are predicted with high reliability, and this provides a good reference data set and a practical guide to the structural elucidation of saturated carbocycles by means of J(C,C) coupling constants...
  3. ncbi request reprint Nonempirical calculations of NMR indirect spin-spin coupling constants. Part 14: azomethines of the alpha, beta-unsaturated aldehydes
    Leonid B Krivdin
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 44:178-87. 2006
    ....
  4. ncbi request reprint Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 6: propellanes
    Leonid B Krivdin
    Department of Chemistry, Technical Academy of Angarsk, Tchaikovsky Avenue 60, 665835 Angarsk, Russia
    Magn Reson Chem 42:1-13. 2004
    ..Many unknown couplings in the propellane frameworks were predicted with high reliability...
  5. ncbi request reprint Non-empirical calculations of NMR indirect spin-spin coupling constants. Part 13: configurational assignment of aminosulfonylamidines
    Leonid B Krivdin
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 43:937-42. 2005
    ....
  6. ncbi request reprint Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 12--aliphatic and alicyclic oximes
    Leonid B Krivdin
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 43:435-43. 2005
    ....
  7. ncbi request reprint Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 7--spiroalkanes
    Leonid B Krivdin
    Department of Chemistry, Technical Academy of Angarsk, Tchaikovsky Ave 60, Angarsk 665835, Russia
    Magn Reson Chem 42:500-11. 2004
    ..5]undecane, with special focus upon couplings involving and/or across spiro carbons. Many interesting structural trends were investigated originating in specific geometries and unusual bonding environments at the spiro carbon...
  8. doi request reprint Open-chain unsaturated selanyl sulfides: stereochemical structure and stereochemical behavior of their 77Se-1H spin-spin coupling constants
    Yury Yu Rusakov
    AE Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia
    Magn Reson Chem 50:653-8. 2012
    ....
  9. doi request reprint Conformational analysis and stereochemical dependences of (31)P-(1)H spin-spin coupling constants of bis(2-phenethyl)vinylphosphine and related phosphine chalcogenides
    Sergey V Fedorov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 47:288-99. 2009
    ....
  10. doi request reprint Stereochemical behavior of (2) J(Se,H) and (3)J(Se,H) spin-spin coupling constants across sp(3) carbons: a theoretical scrutiny
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Russian Academy of Sciences, Siberian Branch, Irkutsk, Russia
    Magn Reson Chem 50:557-62. 2012
    ....
  11. doi request reprint Trivinylphosphine and trivinylphosphine chalcogenides: stereochemical trends of ³¹P-¹H spin-spin coupling constants
    Sergey V Fedorov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 48:S48-55. 2010
    ....
  12. doi request reprint Divinyl selenide: conformational study and stereochemical behavior of its 77Se-1H spin-spin coupling constants
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 46:979-85. 2008
    ..Based on these data, divinyl selenide is shown to exist in an equilibrium mixture of three nonplanar conformers: one the preferred syn-s-cis-s-trans and two minor anti-s-trans-s-trans and syn-s-trans-s-trans forms...
  13. doi request reprint 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
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Russian Academy of Sciences, Irkutsk, Russia
    Magn Reson Chem 50:488-95. 2012
    ..The good agreement observed between measured and the weighted conformational averaged values of the calculated coupling constants provides a basis for reliable diastereotopic assignments in this type of carbohydrate structures...
  14. ncbi request reprint Configurational assignment of carbon, silicon and germanium containing propynal oximes by means of 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants
    Kirill A Chernyshev
    A E Favorsky Institute of Chemistry, Irkutsk, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 45:661-6. 2007
    ..The title compounds were shown to exist in the nonequilibrium mixture of E and Z isomers with the energy difference of less than 0.3 kcal/mol calculated at the MP2/6-311G** level...
  15. doi request reprint Karplus dependence of spin-spin coupling constants revisited theoretically. Part 1: second-order double perturbation theory
    Irina L Rusakova
    A E Favorsky Irkutsk Institute of Chemistry, Russian Academy of Sciences, Siberian Branch, 1 Favorsky St, 664033 Irkutsk, Russia
    Phys Chem Chem Phys 15:18195-203. 2013
    ..In particular, it has been shown that extrema of (3)J(H,H) are observed at φ = πn, n = 0, ±1, ±2,…, which provides a theoretical background of a well-known semiempirical Karplus equation. ..
  16. doi request reprint First example of a high-level correlated calculation of the indirect spin-spin coupling constants involving tellurium: tellurophene and divinyl telluride
    Yury Yu Rusakov
    AE Favorsky Irkutsk Institute of Chemistry, Russian Academy of Sciences, Siberian Branch, Irkutsk, Russia
    Phys Chem Chem Phys 15:13101-7. 2013
    ....
  17. ncbi request reprint Stereochemical study of iminodihydrofurans based on experimental measurements and SOPPA calculations of (13)C-(13)C spin-spin coupling constants
    Leonid B Krivdin
    A E Favorsky Institute of Chemistry, Irkutsk, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 45:758-65. 2007
    ....
  18. doi request reprint Structural trends of 29Si-1H spin-spin coupling constants across double bond
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia
    Magn Reson Chem 50:665-71. 2012
    ....
  19. doi request reprint Conformational analysis and diastereotopic assignments in the series of selenium-containing heterocycles by means of 77Se-1H spin-spin coupling constants: a combined theoretical and experimental study
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia
    Magn Reson Chem 49:389-98. 2011
    ....
  20. doi request reprint First example of the correlated calculation of the one-bond tellurium-carbon spin-spin coupling constants: Relativistic effects, vibrational corrections, and solvent effects
    Irina L Rusakova
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, 664033, Russian Federation
    J Comput Chem 37:1367-72. 2016
    ..2016 Wiley Periodicals, Inc. ..
  21. doi request reprint Normal halogen dependence of 13 C NMR chemical shifts of halogenomethanes revisited at the four-component relativistic level
    Dmitry O Samultsev
    Siberian Branch of the Russian Academy of Sciences, A E Favorsky Irkutsk Institute of Chemistry, Favorsky St 1, 664033, Irkutsk, Russia
    Magn Reson Chem . 2016
    ..Relativistic geometrical optimization (as compared with the non-relativistic level) is essential for the molecules containing at least two iodines at one carbon atom. Copyright © 2016 John Wiley & Sons, Ltd...
  22. ncbi request reprint Configurational assignment of N-arylsulfonylimines of alpha-polychloroaldehydes
    Leonid B Krivdin
    A E Favorsky Institute of Chemistry, Irkutsk, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 45:980-4. 2007
    ..The title compounds were shown to exist in solution solely in the form of E isomers, in line with thermodynamic reasoning...
  23. doi request reprint 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
    Irina L Rusakova
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia
    Magn Reson Chem 54:39-45. 2016
    ..The accumulation of IRSE for geminal coupling constants is not linear with respect to the number of substituents in contrast to the one-bond couplings where IRSE is an essentially additive quantity...
  24. doi request reprint Towards the versatile DFT and MP2 computational schemes for 31P NMR chemical shifts taking into account relativistic corrections
    Sergey V Fedorov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033, Irkutsk, Russia
    Magn Reson Chem 52:699-710. 2014
    ....
  25. doi request reprint Relativistic effects in the one-bond spin-spin coupling constants involving selenium
    Irina L Rusakova
    Siberian Branch of the Russian Academy of Sciences, A E Favorsky Irkutsk Institute of Chemistry, Favorsky St 1, 664033, Irkutsk, Russia
    Magn Reson Chem 52:500-10. 2014
    ....
  26. doi request reprint Nonempirical calculations of the one-bond (29)Si-(13)C spin-spin coupling constants taking into account relativistic and solvent corrections
    Irina L Rusakova
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033, Irkutsk, Russia
    Magn Reson Chem 52:413-21. 2014
    ..The rovibrational corrections are estimated to be of about 1 Hz or 1-1.5% of the total value of (1)J(Si,C)...
  27. doi request reprint 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
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033, Irkutsk, Russia
    Magn Reson Chem 52:214-21. 2014
    ..1-0.2-Hz loss of accuracy...
  28. doi request reprint Theoretical and experimental (15) N NMR study of enamine-imine tautomerism of 4-trifluoromethyl[b]benzo-1,4-diazepine system
    Valentin A Semenov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033, Irkutsk, Russia
    Magn Reson Chem 53:1031-4. 2015
    ..Copyright © 2015 John Wiley & Sons, Ltd. ..
  29. doi request reprint Stereochemical behavior of (77) Se-(1) H spin-spin coupling constants in pyrazolyl-1,3-diselenanes and 1,2-diselenolane
    Yury Yu Rusakov
    Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia
    Magn Reson Chem 50:169-73. 2012
    ..Copyright © 2012 John Wiley & Sons, Ltd. ..
  30. doi request reprint Stereochemical study of the sterically crowded phenylselanylalkenes by means of (77)Se-(1)H spin-spin coupling constants
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 49:570-4. 2011
    ..It has been found that studied phenylselanylalkenes adopt mainly skewed s-cis conformation with the noticeable out-of-plane deviations of the phenylselanyl and phenyl groups...
  31. doi request reprint The effects of intramolecular and intermolecular coordination on (31) P nuclear shielding: phosphorylated azoles
    Kirill A Chernyshev
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, 1 Favorsky Str, 664033, Irkutsk, Russia
    Magn Reson Chem 50:120-7. 2012
    ..Copyright © 2012 John Wiley & Sons, Ltd. ..
  32. doi request reprint One-bond 29Si-1H spin-spin coupling constants in the series of halosilanes: benchmark SOPPA and DFT calculations, relativistic effects, and vibrational corrections
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 51:557-61. 2013
    ..Taking into account, relativistic effects and vibrational corrections noticeably improves wavefunction methods results, but generally worsens DFT results...
  33. ncbi request reprint Benchmark calculations of (29) Si-(1) H spin-spin coupling constants across double bond
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033, Irkutsk, Russia
    Magn Reson Chem 50:278-83. 2012
    ..4 Hz calculated for a set of nine coupling constants in three compounds with a sample span of around 40 Hz. Copyright © 2012 John Wiley & Sons, Ltd...
  34. ncbi request reprint Structural trends of (77)Se--(1)H spin-spin coupling constants and conformational behavior of 2-substituted selenophenes
    Yury Yu Rusakov
    A E Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia
    Magn Reson Chem 48:44-52. 2010
    ..Copyright (c) 2009 John Wiley & Sons, Ltd...