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189 related items for PubMed ID: 15248255

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  • 2. Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 9--Bicyclobutane-containing polycycloalkanes.
    Krivdin LB.
    Magn Reson Chem; 2004 Oct; 42 Spec no():S168-79. PubMed ID: 15366051
    [Abstract] [Full Text] [Related]

  • 3. 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.
    Krivdin LB.
    Magn Reson Chem; 2005 Feb; 43(2):101-16. PubMed ID: 15546131
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  • 4. Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 12--aliphatic and alicyclic oximes.
    Krivdin LB, Scherbina NA, Istomina NV.
    Magn Reson Chem; 2005 Jun; 43(6):435-43. PubMed ID: 15809975
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  • 7. Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 7--spiroalkanes.
    Krivdin LB.
    Magn Reson Chem; 2004 Jun; 42(6):500-11. PubMed ID: 15137043
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  • 8. Benchmarking NMR indirect nuclear spin-spin coupling constants: SOPPA, SOPPA(CC2), and SOPPA(CCSD) versus CCSD.
    Kjaer H, Sauer SP, Kongsted J.
    J Chem Phys; 2010 Oct 14; 133(14):144106. PubMed ID: 20949986
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  • 9. Difluorobenzenes revisited: an experimental and theoretical study of spin-spin coupling constants for 1,2-, 1,3-, and 1,4-difluorobenzene.
    Alkorta I, Blanco F, Del Bene JE, Elguero J, Hernández-Folgado L, Jimeno ML.
    Magn Reson Chem; 2010 Jan 14; 48(1):68-73. PubMed ID: 19941318
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  • 10. Stereochemical dependence of NMR geminal spin-spin coupling constants.
    Contreras RH, Provasi PF, dos Santos FP, Tormena CF.
    Magn Reson Chem; 2009 Feb 14; 47(2):113-20. PubMed ID: 18991325
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  • 11. Calculation of structural behavior of indirect NMR spin-spin couplings in the backbone of nucleic acids.
    Sychrovský V, Vokácová Z, Sponer J, Spacková N, Schneider B.
    J Phys Chem B; 2006 Nov 16; 110(45):22894-902. PubMed ID: 17092041
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  • 12. 1H and 13C NMR chemical shifts and spin-spin coupling constants in trans- and cis-decalins.
    Dodziuk H, Jaszuński M, Schilf W.
    Magn Reson Chem; 2005 Aug 16; 43(8):639-46. PubMed ID: 15915544
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  • 13. Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 10--carbocages.
    Krivdin LB.
    Magn Reson Chem; 2004 Nov 16; 42(11):919-30. PubMed ID: 15386542
    [Abstract] [Full Text] [Related]

  • 14. Indirect NMR spin-spin coupling constants 3J(P,C) and 2J(P,H) across the P-O...H-C link can be used for structure determination of nucleic acids.
    Sychrovský V, Sponer J, Trantírek L, Schneider B.
    J Am Chem Soc; 2006 May 31; 128(21):6823-8. PubMed ID: 16719462
    [Abstract] [Full Text] [Related]

  • 15. A Systematic Comparison of Second-Order Polarization Propagator Approximation (SOPPA) and Equation-of-Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin-Spin Coupling Constants for Selected Singly Bonded Molecules, and the Hydrides NH3, H2O, and HF and Their Protonated and Deprotonated Ions and Hydrogen-Bonded Complexes.
    Del Bene JE, Alkorta I, Elguero J.
    J Chem Theory Comput; 2008 Jun 31; 4(6):967-73. PubMed ID: 26621237
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  • 16. Experimental, SOPPA(CCSD), and DFT analysis of substitutent effects on NMR 1JCF coupling constants in fluorobenzene derivatives.
    Vilcachagua JD, Ducati LC, Rittner R, Contreras RH, Tormena CF.
    J Phys Chem A; 2011 Feb 24; 115(7):1272-9. PubMed ID: 21280628
    [Abstract] [Full Text] [Related]

  • 17. Density functional theory calculation of indirect nuclear magnetic resonance spin-spin coupling constants in C(70).
    Peralta JE, Barone V, Scuseria GE, Contreras RH.
    J Am Chem Soc; 2004 Jun 23; 126(24):7428-9. PubMed ID: 15198575
    [Abstract] [Full Text] [Related]

  • 18. Structural trends of 77Se-1H spin-spin coupling constants and conformational behavior of 2-substituted selenophenes.
    Rusakov YY, Krivdin LB, Sauer SP, Levanova EP, Levkovskaya GG.
    Magn Reson Chem; 2010 Jan 23; 48(1):44-52. PubMed ID: 19877126
    [Abstract] [Full Text] [Related]

  • 19. Geminal 2JCCH spin-spin coupling constants as probes of the phi glycosidic torsion angle in oligosaccharides.
    Klepach TE, Carmichael I, Serianni AS.
    J Am Chem Soc; 2005 Jul 13; 127(27):9781-93. PubMed ID: 15998083
    [Abstract] [Full Text] [Related]

  • 20. Benchmark calculations of (29) Si-(1) H spin-spin coupling constants across double bond.
    Rusakov YY, Krivdin LB, Nosova VM, Kisin AV.
    Magn Reson Chem; 2012 Apr 13; 50(4):278-83. PubMed ID: 22416027
    [Abstract] [Full Text] [Related]

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