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Journal Abstract Search

389 related items for PubMed ID: 18327890

  • 1. Predicting the NMR spectra of nucleotides by DFT calculations: cyclic uridine monophosphate.
    Bagno A, Rastrelli F, Saielli G.
    Magn Reson Chem; 2008 Jun; 46(6):518-24. PubMed ID: 18327890
    [Abstract] [Full Text] [Related]

  • 2. Quantum chemistry-based NMR spin Hamiltonian parameters of GABA for quantitation in magnetic resonance spectroscopy.
    Allouche AR, Aubert-Frécon M, Graveron-Demilly D.
    Phys Chem Chem Phys; 2007 Jun 28; 9(24):3098-103. PubMed ID: 17612733
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 4. 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 03; 42(9):750-5. PubMed ID: 15307056
    [Abstract] [Full Text] [Related]

  • 5. 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 03; 42(5):459-66. PubMed ID: 15095382
    [Abstract] [Full Text] [Related]

  • 6. A combined experimental and theoretical study on the conformational behavior of a calix[6]arene.
    Boulet B, Joubert L, Cote G, Bouvier-Capely C, Cossonnet C, Adamo C.
    J Phys Chem A; 2006 May 04; 110(17):5782-91. PubMed ID: 16640372
    [Abstract] [Full Text] [Related]

  • 7. 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 04; 43(8):639-46. PubMed ID: 15915544
    [Abstract] [Full Text] [Related]

  • 8. Indirect nuclear spin-spin coupling constants in 1,2-diboretane-3-ylidene, a homoaromatic system with pi and sigma 3c/2e bonds. Comparison of experimental data with calculations using density functional theory (DFT).
    Wrackmeyer B, Berndt A.
    Magn Reson Chem; 2004 Jun 04; 42(6):490-5. PubMed ID: 15137041
    [Abstract] [Full Text] [Related]

  • 9. DFT-GIAO(1)H NMR chemical shifts prediction for the spectral assignment and conformational analysis of the anticholinergic drugs (-)-scopolamine and (-)-hyoscyamine.
    Muñoz MA, Joseph-Nathan P.
    Magn Reson Chem; 2010 Jun 04; 48(6):458-63. PubMed ID: 20474024
    [Abstract] [Full Text] [Related]

  • 10. Fluxionality in a paramagnetic seven-coordinate iron(II) complex: a variable-temperature, two-dimensional NMR and DFT study.
    Lonnon DG, Ball GE, Taylor I, Craig DC, Colbran SB.
    Inorg Chem; 2009 Jun 01; 48(11):4863-72. PubMed ID: 19400558
    [Abstract] [Full Text] [Related]

  • 11. 19F and 1H NMR spectra of halocarbons.
    Foris A.
    Magn Reson Chem; 2004 Jun 01; 42(6):534-55. PubMed ID: 15137047
    [Abstract] [Full Text] [Related]

  • 12. 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]

  • 13. Solvation effects on the 31P-NMR chemical shifts and infrared spectra of phosphate diesters.
    Lerner DB, Becktel WJ, Everett R, Goodman M, Kearns DR.
    Biopolymers; 1984 Nov 31; 23(11 Pt 1):2157-72. PubMed ID: 6498296
    [No Abstract] [Full Text] [Related]

  • 14. Theoretical and experimental NMR study of protopine hydrochloride isomers.
    Tousek J, Malináková K, Dostál J, Marek R.
    Magn Reson Chem; 2005 Jul 31; 43(7):578-81. PubMed ID: 15883981
    [Abstract] [Full Text] [Related]

  • 15. 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]

  • 16. Simulation of steady-state NMR of coupled systems using Liouville space and computer algebra methods.
    Anand CK, Bain AD, Nie Z.
    J Magn Reson; 2007 Dec 18; 189(2):200-8. PubMed ID: 17928248
    [Abstract] [Full Text] [Related]

  • 17. DFT and NMR parameterized conformation of valeranone.
    Torres-Valencia JM, Meléndez-Rodríguez M, Alvarez-García R, Cerda-García-Rojas CM, Joseph-Nathan P.
    Magn Reson Chem; 2004 Oct 18; 42(10):898-902. PubMed ID: 15366065
    [Abstract] [Full Text] [Related]

  • 18. Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 7--spiroalkanes.
    Krivdin LB.
    Magn Reson Chem; 2004 Jun 18; 42(6):500-11. PubMed ID: 15137043
    [Abstract] [Full Text] [Related]

  • 19. Assigning powders to crystal structures by high-resolution (1)H-(1)H double quantum and (1)H-(13)C J-INEPT solid-state NMR spectroscopy and first principles computation. A case study of penicillin G.
    Mifsud N, Elena B, Pickard CJ, Lesage A, Emsley L.
    Phys Chem Chem Phys; 2006 Aug 07; 8(29):3418-22. PubMed ID: 16855720
    [Abstract] [Full Text] [Related]

  • 20. Double-quantum filtered 1H MAS NMR spectra.
    Bechmann M, Foerster H, Maisel H, Sebald A.
    Solid State Nucl Magn Reson; 2005 May 07; 27(3):174-9. PubMed ID: 15681134
    [Abstract] [Full Text] [Related]

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