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1570 related items for PubMed ID: 19345137

  • 1. FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of alpha,alpha dichlorotoluene.
    Nagabalasubramanian PB, Periandy S, Mohan S, Govindarajan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul 15; 73(2):277-80. PubMed ID: 19345137
    [Abstract] [Full Text] [Related]

  • 2. A scaled quantum mechanical approach of vibrational analysis of o-tolunitrile based on FTIR and FT Raman spectra, ab initio, Hartree Fock and DFT methods.
    Nagabalasubramanian PB, Periandy S, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec 15; 74(5):1280-7. PubMed ID: 19875327
    [Abstract] [Full Text] [Related]

  • 3. Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of alpha-chlorotoluene.
    Nagabalasubramanian PB, Periandy S, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep 15; 77(1):150-9. PubMed ID: 20537941
    [Abstract] [Full Text] [Related]

  • 4. Fourier transform infrared and Raman spectral assignments and analysis of 7-amino-4-trifluoromethylcoumarin.
    Arjunan V, Puviarasan N, Mohan S, Murugesan P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Aug 15; 67(5):1290-6. PubMed ID: 17141560
    [Abstract] [Full Text] [Related]

  • 5. 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 15; 77(5):1099-107. PubMed ID: 20933463
    [Abstract] [Full Text] [Related]

  • 6. FTIR and FTRaman spectra, assignments, ab initio HF and DFT analysis of 4-nitrotoluene.
    Ramalingam S, Periandy S, Govindarajan M, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Apr 15; 75(4):1308-14. PubMed ID: 20133182
    [Abstract] [Full Text] [Related]

  • 7. 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 15; 65(1):147-54. PubMed ID: 16330246
    [Abstract] [Full Text] [Related]

  • 8. Analysis of vibrational spectra of 1-chloro-2,4-dinitrobenzene based on density functional theory calculations.
    Krishnakumar V, Prabavathi N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 May 15; 72(4):738-42. PubMed ID: 19124269
    [Abstract] [Full Text] [Related]

  • 9. Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments.
    Krishnakumar V, Prabavathi N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep 15; 74(1):154-61. PubMed ID: 19523872
    [Abstract] [Full Text] [Related]

  • 10. Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP) calculations on the structure of 3-Bromo phenol.
    Mahadevan D, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 15; 78(2):575-81. PubMed ID: 21185772
    [Abstract] [Full Text] [Related]

  • 11. FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations.
    Ramalingam S, Periandy S, Elanchezhian B, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan 15; 78(1):429-36. PubMed ID: 21146451
    [Abstract] [Full Text] [Related]

  • 12. Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 2-Methylpyrazine.
    Krishnakumar V, Prabavathi N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 May 15; 72(4):743-7. PubMed ID: 19121975
    [Abstract] [Full Text] [Related]

  • 13. Vibrational spectroscopic investigations, ab initio and DFT studies on 7-bromo-5-chloro-8-hydroxyquinoline.
    Arjunan V, Mohan S, Ravindran P, Mythili CV.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 May 15; 72(4):783-8. PubMed ID: 19112045
    [Abstract] [Full Text] [Related]

  • 14. FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene.
    Mahadevan D, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep 15; 79(5):962-9. PubMed ID: 21561799
    [Abstract] [Full Text] [Related]

  • 15. Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP and B3PW91) analysis on the structure of 2-amino pyridine.
    Ramalingam S, Periandy S, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep 15; 77(1):73-81. PubMed ID: 20627807
    [Abstract] [Full Text] [Related]

  • 16. FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine.
    Arivazhagan M, Jeyavijayan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jun 15; 79(1):161-8. PubMed ID: 21450515
    [Abstract] [Full Text] [Related]

  • 17. 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 15; 66(1):17-27. PubMed ID: 16815087
    [Abstract] [Full Text] [Related]

  • 18. 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 15; 69(3):871-9. PubMed ID: 17658292
    [Abstract] [Full Text] [Related]

  • 19. 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 15; 70(3):550-6. PubMed ID: 17870655
    [Abstract] [Full Text] [Related]

  • 20. Molecular structure and vibrational spectra of o-chlorotoluene, m-chlorotoluene, and p-chlorotoluene by ab initio HF and DFT calculations.
    Wang J, Ren M, Wang S, Qu Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar 15; 78(3):1126-32. PubMed ID: 21227744
    [Abstract] [Full Text] [Related]

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