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591 related items for PubMed ID: 17418627

  • 1. 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; 68(3):680-7. PubMed ID: 17418627
    [Abstract] [Full Text] [Related]

  • 2. Vibrational spectroscopy investigation using ab initio and density functional theory on p-anisaldehyde.
    Gunasekaran S, Seshadri S, Muthu S, Kumaresan S, Arunbalaji R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Aug; 70(3):550-6. PubMed ID: 17870655
    [Abstract] [Full Text] [Related]

  • 3. 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; 68(3):561-6. PubMed ID: 17324616
    [Abstract] [Full Text] [Related]

  • 4. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 2-amino-4,6-dimethoxypyrimidine.
    Sundaraganesan N, Sathesh Kumar K, Meganathan C, Dominic Joshua B.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Dec; 65(5):1186-96. PubMed ID: 16822710
    [Abstract] [Full Text] [Related]

  • 5. 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; 69(3):871-9. PubMed ID: 17658292
    [Abstract] [Full Text] [Related]

  • 6. FTIR, FT-Raman spectra and ab initio, DFT vibrational analysis of 2,4-dinitrophenylhydrazine.
    Sundaraganesan N, Ayyappan S, Umamaheswari H, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jan; 66(1):17-27. PubMed ID: 16815087
    [Abstract] [Full Text] [Related]

  • 7. FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2,4-dichloro-6-nitrophenol.
    Sundaraganesan N, Anand B, Dominic Joshua B.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Dec; 65(5):1053-62. PubMed ID: 16716652
    [Abstract] [Full Text] [Related]

  • 8. FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2-amino-5-chloropyridine.
    Sundaraganesan N, Ilakiamani S, Anand B, Saleem H, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jun; 64(3):586-94. PubMed ID: 16387534
    [Abstract] [Full Text] [Related]

  • 9. Vibrational spectroscopy investigation using ab initio and density functional theory on 3'-chloropropiophenone and 3'-nitropropiophenone.
    Udhayakala P, Seshadri S, Rajendiran TV, Gunasekaran S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Feb; 75(2):567-73. PubMed ID: 20031481
    [Abstract] [Full Text] [Related]

  • 10. 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]

  • 11. 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 01; 67(3-4):628-35. PubMed ID: 16979935
    [Abstract] [Full Text] [Related]

  • 12. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride.
    Sundaraganesan N, Illakiamani S, Meganathan C, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 May 01; 67(1):214-24. PubMed ID: 16945578
    [Abstract] [Full Text] [Related]

  • 13. FT-Raman and FT-IR spectra, ab initio and density functional studies of 3,4-dichlorobenzyl alcohol.
    Sundaraganesan N, Anand B, Jian FF, Zhao P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Nov 01; 65(3-4):826-32. PubMed ID: 16574470
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. 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
    [Abstract] [Full Text] [Related]

  • 16. FT-IR, FT-Raman spectra and ab initio DFT vibrational analysis of p-bromophenoxyacetic acid.
    Sundaraganesan N, Meganathan C, Anand B, Lapouge C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Mar 01; 66(3):773-80. PubMed ID: 16870498
    [Abstract] [Full Text] [Related]

  • 17. Vibrational spectra and assignments of 3-aminobenzyl alcohol by ab initio Hartree-Fock and density functional method.
    Sundaraganesan N, Anand B, Meganathan C, Joshua BD, Saleem H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan 01; 69(1):198-204. PubMed ID: 17512242
    [Abstract] [Full Text] [Related]

  • 18. 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
    [Abstract] [Full Text] [Related]

  • 19. FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study.
    Karabacak M, Karagöz D, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jun 01; 72(5):1076-83. PubMed ID: 19213598
    [Abstract] [Full Text] [Related]

  • 20. FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study.
    Ramalingam S, Periandy S, Govindarajan M, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 May 01; 75(5):1552-8. PubMed ID: 20227335
    [Abstract] [Full Text] [Related]

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