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Journal Abstract Search

489 related items for PubMed ID: 15820889

  • 1. Vibrational spectrum, ab initio calculation, conformational equilibria and torsional modes of 1,3-dibromopropane.
    Nalewanski MS, Tambouret YP, Lentini ST, Stidham HD, Guirgis GA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 May; 61(7):1547-57. PubMed ID: 15820889
    [Abstract] [Full Text] [Related]

  • 2. Conformational stability from variable temperature infrared spectra of krypton solutions, ab initio calculations, vibrational assignment, and r0 structural parameters of 1,3-difluoropropane.
    Durig JR, Zheng C, Williams MJ, Stidham HD, Guirgis GA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jun; 60(7):1659-76. PubMed ID: 15147712
    [Abstract] [Full Text] [Related]

  • 3. Vibrational spectrum, ab initio calculations, conformational equilibria and torsional modes of 1,3-dichloropropane.
    Duffy DJ, Quenneville J, Baumbaugh TM, Kitchener SA, McCormick RK, Dormady CN, Croce TA, Navabi A, Stidham HD, Hsu SL, Guirgis GA, Deng S, Durig JR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Feb; 60(3):659-71. PubMed ID: 14747092
    [Abstract] [Full Text] [Related]

  • 4. Conformational stability of cyclobutanol from temperature dependent infrared spectra of xenon solutions, r0 structural parameters, ab initio calculations and vibrational assignment.
    Durig JR, Ganguly A, El Defrawy AM, Gounev TK, Guirgis GA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 15; 71(4):1379-89. PubMed ID: 18602334
    [Abstract] [Full Text] [Related]

  • 5. Vibrational spectrum, ab initio calculations, conformational stabilities and assignment of fundamentals of the Ci conformer of 1,4-dichlorobutane.
    LaPlante AJ, Stidham HD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov 15; 71(2):436-48. PubMed ID: 18325830
    [Abstract] [Full Text] [Related]

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  • 7. Conformational stability, structural parameters and vibrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate.
    Durig JR, Zheng C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 15; 68(3):783-95. PubMed ID: 17433767
    [Abstract] [Full Text] [Related]

  • 8. 1,2-Dibromoethyl-trichlorosilane (CH2BrCHBrSiCl3): conformational structure and vibrational properties by gas-phase electron diffraction, infrared and Raman spectroscopy, and ab initio molecular orbital and density functional theory calculations.
    Johansen TH, Hassler K, Richardson AD, Tekautz G, Hagen K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 May 15; 61(7):1307-19. PubMed ID: 15820864
    [Abstract] [Full Text] [Related]

  • 9. Infrared and Raman spectra, conformational stability, ab initio calculations and vibrational assignment of 2-fluorobutane.
    Durig JR, Zhu X, Guirgis GA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Mar 15; 60(4):829-41. PubMed ID: 15036094
    [Abstract] [Full Text] [Related]

  • 10. Conformational stability from rare gas solutions, r0 structural parameters, barriers to internal rotation, and ab initio calculations for vinyl silyl fluoride.
    Nashed YE, Qtaitat MA, Zheng C, Zhou X, Guirgis GA, Sullivan JF, Durig JR.
    J Phys Chem A; 2009 Feb 26; 113(8):1653-62. PubMed ID: 19199671
    [Abstract] [Full Text] [Related]

  • 11. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
    Subramanian MK, Anbarasan PM, Ilangovan V, Babu SM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov 01; 71(1):59-67. PubMed ID: 18178129
    [Abstract] [Full Text] [Related]

  • 12. Vibrational spectrum, conformational stability, structural parameters and ab initio calculations of dimethylaminodifluorophosphine.
    Durig JR, Panikar S, Zhou X, El Defrawy AM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar 01; 69(3):715-25. PubMed ID: 17604210
    [Abstract] [Full Text] [Related]

  • 13. Raman spectrum, conformational stability, barriers to internal rotations and DFT calculations of 1,1,1-trifluoro-propane-2-thione with double-internal-symmetric rotor.
    Mohamed TA, Farag RS.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec 01; 62(4-5):800-7. PubMed ID: 16303627
    [Abstract] [Full Text] [Related]

  • 14. Conformational studies of cyclopropylmethyl isothiocyanate from temperature-dependent FT-IR spectra of rare gas solutions and ab initio calculations.
    Zheng C, Guirgis GA, Herrebout WA, van der Veken BJ, Wurrey CJ, Durig JR.
    J Phys Chem A; 2006 Jul 27; 110(29):9057-70. PubMed ID: 16854016
    [Abstract] [Full Text] [Related]

  • 15. Conformational stability from temperature-dependent fourier transform infrared spectra of noble gas solutions, r0 structural parameters, and barriers to internal rotation for ethylamine.
    Durig JR, Zheng C, Gounev TK, Herrebout WA, van der Veken BJ.
    J Phys Chem A; 2006 May 04; 110(17):5674-84. PubMed ID: 16640362
    [Abstract] [Full Text] [Related]

  • 16. Vibrational spectroscopic studies, conformations and ab initio calculations of 3,3,3-trifluoropropyltrichlorosilane.
    Guirgis GA, Horn A, Klaeboe P, Nielsen CJ.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 May 04; 61(7):1335-46. PubMed ID: 15820867
    [Abstract] [Full Text] [Related]

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  • 18. Ab initio and DFT studies of the molecular structures and vibrational spectra of succinonitrile.
    Umar Y, Morsy MA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr 04; 66(4-5):1133-40. PubMed ID: 16872884
    [Abstract] [Full Text] [Related]

  • 19. Vibrational spectrum, ab initio calculations, conformational stabilities and assignment of fundamentals of 1,2-dibromopropane.
    LaPlante AJ, Stidham HD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 15; 74(3):808-18. PubMed ID: 19733504
    [Abstract] [Full Text] [Related]

  • 20. Conformational stabilities and structural parameters of (CH3)(n)CH(3-n) CFO molecules.
    Durig DT, Shen S, Li Y, Durig JR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jun 15; 60(7):1481-504. PubMed ID: 15147690
    [Abstract] [Full Text] [Related]

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