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127 related items for PubMed ID: 17049912

  • 1. Normal coordinates analyses of beta-D-allose and alpha-D-talose in the crystalline state.
    Reguieg C, Yousfi N, Sekkal-Rahal M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):966-75. PubMed ID: 17049912
    [Abstract] [Full Text] [Related]

  • 2. Harmonic dynamics of beta-D-fructopyranose.
    Benbrahim N, Sekkal-Rahal M, Vergoten G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2002 Nov; 58(13):3021-31. PubMed ID: 12477047
    [Abstract] [Full Text] [Related]

  • 3. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
    Stare J, Panek J, Eckert J, Grdadolnik J, Mavri J, Hadzi D.
    J Phys Chem A; 2008 Feb 21; 112(7):1576-86. PubMed ID: 18225869
    [Abstract] [Full Text] [Related]

  • 4. Vibrational normal modes calculation in the crystalline state of methylated monosaccharides: Anomers of the methyl-D-glucopyranoside and methyl-D-xylopyranoside molecules.
    Taleb-Mokhtari IN, Lazreg A, Sekkal-Rahal M, Bestaoui N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan 15; 153():363-73. PubMed ID: 26342821
    [Abstract] [Full Text] [Related]

  • 5. Modified UBFF calculations of the alpha-L-fucopyranose molecule in the crystalline state.
    Taleb-Mokhtari IN, Rahal-Sekkal M, Vergoten G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2003 Feb 15; 59(3):607-16. PubMed ID: 12524131
    [Abstract] [Full Text] [Related]

  • 6. Vibrational spectra of trimethylsilanol. The problem of the assignment of the SiOH group frequencies.
    Ignatyev IS, Partal F, López González JJ, Sundius T.
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Apr 15; 60(5):1169-78. PubMed ID: 15084336
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  • 7. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3,4-dimethylbenzaldehyde.
    Sundaraganesan N, Ilakiamani S, Dominic Joshua B.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 15; 68(3):680-7. PubMed ID: 17418627
    [Abstract] [Full Text] [Related]

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  • 10. Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.
    Hiremath CS, Kalkoti GB, Aralakkanavar MK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep 15; 74(1):200-4. PubMed ID: 19560961
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  • 11. FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of 2,3-difluoro phenol.
    Sundaraganesan N, Anand B, Meganathan C, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 15; 68(3):561-6. PubMed ID: 17324616
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  • 12. FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of p-chlorobenzoic acid.
    Sundaraganesan N, Anand B, Meganathan C, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar 15; 69(3):871-9. PubMed ID: 17658292
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  • 14. Vibrational analysis of crystalline tri-L-alanine.
    Qian W, Bandekar J, Krimm S.
    Biopolymers; 1991 Feb 05; 31(2):193-210. PubMed ID: 2043750
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  • 15. FTIR and Raman spectra and SQM force field calculation for vibrational analysis of 2,3,4- and 2,3,6-tri-fluoro-anilines.
    Mukherjee V, Singh K, Singh NP, Yadav RA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul 05; 73(1):44-53. PubMed ID: 19264537
    [Abstract] [Full Text] [Related]

  • 16. Density functional theory study of vibrational spectra and assignment of fundamental vibrational modes of 1-methyl-4-piperidone.
    Krishnakumar V, Keresztury G, Sundius T, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 05; 68(3):845-50. PubMed ID: 17482868
    [Abstract] [Full Text] [Related]

  • 17. Force field calculations and reassigments of Raman and IR frequencies of pyrazine-N,N'-dioxide.
    Yadav RA, Mukherjee V, Kumar M, Singh R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr 05; 66(4-5):964-71. PubMed ID: 16875863
    [Abstract] [Full Text] [Related]

  • 18. Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of 1-bromo 4-fluoronaphthalene.
    Krishnakumar V, Prabavathi N, Muthunatesan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Oct 05; 70(5):991-6. PubMed ID: 18035588
    [Abstract] [Full Text] [Related]

  • 19. Analysis of vibrational spectra of 5,6-dimethyl benzimidazole based on density functional theory calculations.
    Krishnakumar V, Seshadri S, Muthunatasen S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 05; 68(3):811-6. PubMed ID: 17475545
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  • 20. Experimental (FTIR and FT-Raman) and ab initio and DFT study of vibrational frequencies of 5-amino-2-nitrobenzoic acid.
    Ramalingam M, Sundaraganesan N, Saleem H, Swaminathan J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov 01; 71(1):23-30. PubMed ID: 18178128
    [Abstract] [Full Text] [Related]

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