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Journal Abstract Search

836 related items for PubMed ID: 17317286

  • 1. HF, MP2 and DFT calculations and spectroscopic study of the vibrational and conformational properties of N-diethylendiamine.
    Elleuch S, Feki H, Abid Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):942-7. PubMed ID: 17317286
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  • 3. 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
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  • 9. Conformational stability and vibrations of aminopropylsilanol molecule.
    Bistricić L, Volovsek V, Dananić V, Sapić IM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 May 15; 64(2):327-37. PubMed ID: 16386453
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  • 10. 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
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  • 11. Experimental and CIS, TD-DFT, ab initio calculations of visible spectra and the vibrational frequencies of sulfonyl azide-azoic dyes.
    Teimouri A, Chermahini AN, Taban K, Dabbagh HA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Mar 15; 72(2):369-77. PubMed ID: 19042151
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  • 14. Density functional theory study on the structure and vibrational frequencies of glycylglycine.
    Zhao B, Wang C, Zhao S, Qin M, Zhou Z, Sun Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jul 15; 70(2):301-6. PubMed ID: 17919969
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  • 15. 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
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  • 16. Conformational stability from variable temperature FT-IR spectra of krypton solutions, r0 structural parameters, vibrational assignment, and ab initio calculations of 4-fluoro-1-butene.
    Guirgis GA, Yu Z, Zheng C, Zhou SX, Durig JR.
    J Phys Chem A; 2008 Mar 20; 112(11):2268-81. PubMed ID: 18298100
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  • 17. 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 20; 61(7):1547-57. PubMed ID: 15820889
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  • 18. Three rotor potential energy scans, conformational equilibrium constants and vibrational analysis of 3-fluoro-1-propanol CH(2)FCH(2)CH(2)OH.
    Badawi HM, Förner W, Ali SA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan 20; 69(1):263-71. PubMed ID: 17485239
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  • 19. An ab initio and DFT study of structure and vibrational spectra of disiloxane H3SiOSiH3 conformers. Comparison to experimental data.
    Carteret C, Labrosse A, Assfeld X.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Aug 20; 67(5):1421-9. PubMed ID: 17150406
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  • 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 20; 60(7):1481-504. PubMed ID: 15147690
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