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Journal Abstract Search

1418 related items for PubMed ID: 19042151

  • 1. 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; 72(2):369-77. PubMed ID: 19042151
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  • 2. DFT and ab initio calculations of the vibrational frequencies and visible spectra of triazenes derived from cyclic amines.
    Dabbagh HA, Teimouri A, Chermahini AN, Shiasi R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun; 67(2):437-43. PubMed ID: 16965932
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  • 3. DFT and ab initio study of structure of dyes derived from 2-hydroxy and 2,4-dihydroxy benzoic acids.
    Dabbagh HA, Teimouri A, Chermahini AN, Shahraki M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb; 69(2):449-59. PubMed ID: 17553738
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  • 4. Theoretical investigation of the structure and vibrational spectra of carbamoyl azide.
    Umar Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jun; 64(3):568-73. PubMed ID: 16387539
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  • 5. 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
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  • 12. 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 01; 68(3):561-6. PubMed ID: 17324616
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  • 14. FTIR and FT Raman, molecular geometry, vibrational assignments, ab initio and density functional theory calculations for 1,5-methylnaphthalene.
    Nagabalasubramanian PB, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Dec 01; 77(5):1099-107. PubMed ID: 20933463
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  • 15. 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 01; 66(4-5):1133-40. PubMed ID: 16872884
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  • 16. Molecular structure and vibrational analysis of 3-Ethylpyridine using ab initio HF and density functional theory (B3LYP) calculations.
    Shakila G, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 01; 78(2):732-9. PubMed ID: 21183400
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  • 20. 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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