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255 related items for PubMed ID: 17475545

  • 1. 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; 68(3):811-6. PubMed ID: 17475545
    [Abstract] [Full Text] [Related]

  • 2. Scaled quantum chemical calculations and FT-IR, FT-Raman spectral analysis of 2-methyl piperazine.
    Krishnakumar V, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):833-8. PubMed ID: 17317283
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  • 3. 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; 68(3):845-50. PubMed ID: 17482868
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  • 4. Comparison of experimental and ab initio HF and DFT vibrational spectra of benzimidazole.
    Sundaraganesan N, Ilakiamani S, Subramani P, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):628-35. PubMed ID: 16979935
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  • 5. DFT studies of the structure and vibrational assignments of 4-hydroxy quinazoline and 2-hydroxy benzimidazole.
    Krishnakumar V, Muthunatesan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr; 66(4-5):1082-90. PubMed ID: 16870497
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  • 6. Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations.
    Krishnakumar V, Dheivamalar S, Xavier RJ, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Sep; 65(1):147-54. PubMed ID: 16330246
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  • 7. Density functional theory calculations and vibrational spectra of 3,5-dibromopyridine and 3,5-dichloro-2,4,6-trifluoropyridine.
    Krishnakumar V, Xavier RJ.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan 01; 61(1-2):253-60. PubMed ID: 15556447
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  • 8. 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 01; 68(3):680-7. PubMed ID: 17418627
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  • 10. Vibrational spectra and potential energy distributions for 4,5-dichloro-3-hydroxypyridazine by density functional theory and normal coordinate calculations.
    Krishnakumar V, Ramasamy R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Sep 01; 61(11-12):2526-32. PubMed ID: 16043044
    [Abstract] [Full Text] [Related]

  • 11. Vibrational spectra and DFT study of anticancer active molecule 2-(4-Bromophenyl)-1H-benzimidazole by normal coordinate analysis.
    Xavier TS, Rashid N, Joe IH.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan 01; 78(1):319-26. PubMed ID: 21030299
    [Abstract] [Full Text] [Related]

  • 12. Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 3,4-diamino benzophenone.
    Krishnakumar V, Muthunatesan S, Keresztury G, Sundius T.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec 01; 62(4-5):1081-8. PubMed ID: 15946895
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  • 13. 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 01; 70(5):991-6. PubMed ID: 18035588
    [Abstract] [Full Text] [Related]

  • 14. FT-Raman and infrared spectra and vibrational assignments for 3-chloro-4-methoxybenzaldehyde, as supported by ab initio, hybrid density functional theory and normal coordinate calculations.
    Hiremath CS, Yenagi J, Tonannavar J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 01; 68(3):710-7. PubMed ID: 17418630
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  • 16. Scaled quantum chemical studies of the structure and vibrational spectra of 2-(methylthio) benzimidazole.
    Krishnakumar V, Ramasamy R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov 01; 62(1-3):570-7. PubMed ID: 16257761
    [Abstract] [Full Text] [Related]

  • 17. Density functional study and the vibrational spectra of 4-chloro-5-fluoro-1,2-phenylenediamine.
    Krishnakumar V, Muthunatesan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan 01; 61(1-2):199-204. PubMed ID: 15556440
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