These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

857 related articles for article (PubMed ID: 17534885)

  • 1. 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; 45(7):532-43. PubMed ID: 17534885
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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; 45(1):5-23. PubMed ID: 17042032
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Theoretical investigation on multinuclear NMR chemical shifts of some tris(trifluoromethyl)boron complexes.
    Zhang J; Cai S; Chen Z
    Magn Reson Chem; 2009 Aug; 47(8):629-34. PubMed ID: 19384915
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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; 8(14):3233-9. PubMed ID: 12203353
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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; 45(8):647-55. PubMed ID: 17559166
    [TBL] [Abstract][Full Text] [Related]  

  • 6. DFT-GIAO calculations of 19F NMR chemical shifts for perfluoro compounds.
    Fukaya H; Ono T
    J Comput Chem; 2004 Jan; 25(1):51-60. PubMed ID: 14634993
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum chemical computational studies on 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester.
    Tokatlı A; Ozen E; Ucun F; Bahçeli S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar; 78(3):1201-11. PubMed ID: 21247796
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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; 9(24):3098-103. PubMed ID: 17612733
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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; 43(7):585-7. PubMed ID: 15880480
    [TBL] [Abstract][Full Text] [Related]  

  • 10. MP2, density functional theory, and molecular mechanical calculations of C-H...pi and hydrogen bond interactions in a cellulose-binding module-cellulose model system.
    Mohamed MN; Watts HD; Guo J; Catchmark JM; Kubicki JD
    Carbohydr Res; 2010 Aug; 345(12):1741-51. PubMed ID: 20580346
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Structural studies on aryl-substituted enaminoketones and their thio analogues. Part I. Analysis of high-resolution (1)H, (13)C NMR and (13)C CP MAS spectra combined with GIAO-DFT calculations.
    Bugaj M; Baran PA; Bernatowicz P; Brozek P; Kamieńska-Trela K; Krówczyński A; Kamieński B
    Magn Reson Chem; 2009 Oct; 47(10):830-42. PubMed ID: 19579265
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Predicting 9Be nuclear magnetic resonance chemical shielding tensors utilizing density functional theory.
    Plieger PG; John KD; Keizer TS; McCleskey TM; Burrell AK; Martin RL
    J Am Chem Soc; 2004 Nov; 126(44):14651-8. PubMed ID: 15521785
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Spectroscopic, electronic structure and natural bond orbital analysis of o-fluoronitrobenzene and p-fluoronitrobenzene: a comparative study.
    Arjunan V; Govindaraja ST; Sakiladevi S; Kalaivani M; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 84(1):196-209. PubMed ID: 21993258
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum vs. classical models of the nitro group for proton chemical shift calculations and conformational analysis.
    Mobli M; Abraham RJ
    J Comput Chem; 2005 Mar; 26(4):389-98. PubMed ID: 15651034
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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; 113(35):11808-21. PubMed ID: 19663434
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 1-Cyclohepta-2,4,6-trienyl-selanes--a 77Se NMR study: indirect nuclear 77Se--13C spin-spin coupling constants and application of density functional theory (DFT) calculations.
    Wrackmeyer B; Hernández ZG; Herberhold M
    Magn Reson Chem; 2007 Mar; 45(3):198-204. PubMed ID: 17183533
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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; 42(5):459-66. PubMed ID: 15095382
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Complete 1H, 13C and 15N NMR assignment of tirapazamine and related 1,2,4-benzotriazine N-oxides.
    Boyd M; Hay MP; Boyd PD
    Magn Reson Chem; 2006 Oct; 44(10):948-54. PubMed ID: 16900565
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Computational studies of 13C NMR chemical shifts of saccharides.
    Taubert S; Konschin H; Sundholm D
    Phys Chem Chem Phys; 2005 Jul; 7(13):2561-9. PubMed ID: 16189565
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 43.