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Journal Abstract Search

239 related items for PubMed ID: 15137041

  • 1.
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  • 2. Indirect nuclear 57Fe-13C and 57Fe-1H spin-spin coupling in ferrocenes and cyclopentadienyliron complexes: measurements and DFT calculations.
    Wrackmeyer B, Tok OL, Koridze AA.
    Magn Reson Chem; 2004 Sep; 42(9):750-5. PubMed ID: 15307056
    [Abstract] [Full Text] [Related]

  • 3. An NMR and relativistic DFT investigation of one-bond nuclear spin-spin coupling in solid triphenyl group-14 chlorides.
    Willans MJ, Demko BA, Wasylishen RE.
    Phys Chem Chem Phys; 2006 Jun 21; 8(23):2733-43. PubMed ID: 16763706
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  • 4. GIAO/DFT evaluation of 13C NMR chemical shifts of selected acetals based on DFT optimized geometries.
    Migda W, Rys B.
    Magn Reson Chem; 2004 May 21; 42(5):459-66. PubMed ID: 15095382
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  • 6. Structural elucidation of nitro-substituted five-membered aromatic heterocycles utilizing GIAO DFT calculations.
    Katritzky AR, Akhmedov NG, Doskocz J, Hall CD, Akhmedova RG, Majumder S.
    Magn Reson Chem; 2007 Jan 21; 45(1):5-23. PubMed ID: 17042032
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  • 8. NMR spectra, GIAO and charge density calculations of five-membered aromatic heterocycles.
    Katritzky AR, Akhmedov NG, Doskocz J, Mohapatra PP, Hall CD, Güven A.
    Magn Reson Chem; 2007 Jul 21; 45(7):532-43. PubMed ID: 17534885
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  • 9. Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 7--spiroalkanes.
    Krivdin LB.
    Magn Reson Chem; 2004 Jun 21; 42(6):500-11. PubMed ID: 15137043
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  • 11. Predicting the NMR spectra of nucleotides by DFT calculations: cyclic uridine monophosphate.
    Bagno A, Rastrelli F, Saielli G.
    Magn Reson Chem; 2008 Jun 21; 46(6):518-24. PubMed ID: 18327890
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  • 12. Solid-state 109Ag CP/MAS NMR spectroscopy of some diammine silver(I) complexes.
    Bowmaker GA, Harris RK, Assadollahzadeh B, Apperley DC, Hodgkinson P, Amornsakchai P.
    Magn Reson Chem; 2004 Sep 21; 42(9):819-26. PubMed ID: 15307067
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  • 13. 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 21; 43(8):639-46. PubMed ID: 15915544
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  • 14. Conformational studies of poly(9,9-dialkylfluorene)s in solution using NMR spectroscopy and density functional theory calculations.
    Justino LL, Ramos ML, Abreu PE, Carvalho RA, Sobral AJ, Scherf U, Burrows HD.
    J Phys Chem B; 2009 Sep 03; 113(35):11808-21. PubMed ID: 19663434
    [Abstract] [Full Text] [Related]

  • 15. Multinuclear magnetic resonance and molecular modeling investigations as unambiguous methods for the determination of silacycle 3D structures.
    Mahieux C, Laguerre M, Landais Y, Pianet I.
    Magn Reson Chem; 2004 May 03; 42(5):467-73. PubMed ID: 15095383
    [Abstract] [Full Text] [Related]

  • 16. Synthesis and GIAO NMR calculations for some new 4,5-dihydro-1H-1,2,4-triazol-5-one derivatives: comparison of theoretical and experimental 1H and 13C chemical shifts.
    Yüksek H, Gürsoy O, Cakmak I, Alkan M.
    Magn Reson Chem; 2005 Jul 03; 43(7):585-7. PubMed ID: 15880480
    [Abstract] [Full Text] [Related]

  • 17. 15N-15N spin-spin coupling constants through intermolecular hydrogen bonds in the solid state.
    Claramunt RM, Pérez-Torralba M, María DS, Sanz D, Elena B, Alkorta I, Elguero J.
    J Magn Reson; 2010 Oct 03; 206(2):274-9. PubMed ID: 20716491
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  • 18. Calculation and analysis of NMR spin-spin coupling constants.
    Cremer D, Gräfenstein J.
    Phys Chem Chem Phys; 2007 Jun 14; 9(22):2791-816. PubMed ID: 17538726
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  • 19. Structural study of 2-(1-oxo-1 H-inden-3-yl)-2H-indene-1,3-dione by DFT calculations, NMR and IR spectroscopy.
    Riahi S, Ganjali MR, Moghaddam AB, Norouzi P, Hosseiny Davarani SS.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun 14; 70(1):94-8. PubMed ID: 17768082
    [Abstract] [Full Text] [Related]

  • 20. Comparison of quantitative conformer analyses by nuclear magnetic resonance and Raman optical activity spectra for model dipeptides.
    Budesínský M, Danecek P, Bednárová L, Kapitán J, Baumruk V, Bour P.
    J Phys Chem A; 2008 Sep 18; 112(37):8633-40. PubMed ID: 18729424
    [Abstract] [Full Text] [Related]

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