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Journal Abstract Search

152 related items for PubMed ID: 23779148

  • 1. Successful combination of computationally inexpensive GIAO 13C NMR calculations and artificial neural network pattern recognition: a new strategy for simple and rapid detection of structural misassignments.
    Sarotti AM.
    Org Biomol Chem; 2013 Aug 07; 11(29):4847-59. PubMed ID: 23779148
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  • 2. Structure validation of natural products by quantum-mechanical GIAO calculations of 13C NMR chemical shifts.
    Barone G, Gomez-Paloma L, Duca D, Silvestri A, Riccio R, Bifulco G.
    Chemistry; 2002 Jul 15; 8(14):3233-9. PubMed ID: 12203353
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  • 5. Assigning the stereochemistry of pairs of diastereoisomers using GIAO NMR shift calculation.
    Smith SG, Goodman JM.
    J Org Chem; 2009 Jun 19; 74(12):4597-607. PubMed ID: 19459674
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  • 6. Assigning stereochemistry to single diastereoisomers by GIAO NMR calculation: the DP4 probability.
    Smith SG, Goodman JM.
    J Am Chem Soc; 2010 Sep 22; 132(37):12946-59. PubMed ID: 20795713
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  • 13. Solution structure of succinylacetone, an unsymmetrical beta-diketone, as studied by 13C NMR and GIAO-DFT calculations.
    Bal D, Kraska-Dziadecka A, Gryff-Keller A.
    J Org Chem; 2009 Nov 20; 74(22):8604-9. PubMed ID: 19839628
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  • 14. Empirical and DFT GIAO quantum-mechanical methods of (13)C chemical shifts prediction: competitors or collaborators?
    Elyashberg M, Blinov K, Smurnyy Y, Churanova T, Williams A.
    Magn Reson Chem; 2010 Mar 20; 48(3):219-29. PubMed ID: 20108257
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  • 19. Quantum chemical and nuclear magnetic resonance spectral studies on molecular properties and electronic structure of berberine and berberrubine.
    Tripathi AN, Chauhan L, Thankachan PP, Barthwal R.
    Magn Reson Chem; 2007 Aug 20; 45(8):647-55. PubMed ID: 17559166
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