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1150 related items for PubMed ID: 21450515

  • 21. 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]

  • 22. 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; 75(4):1308-14. PubMed ID: 20133182
    [Abstract] [Full Text] [Related]

  • 23. 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]

  • 24. Spectroscopic investigation, computed IR intensity, Raman activity and vibrational frequency analysis on 3-bromoanisole using HF and DFT (LSDA/MPW1PW91) calculations.
    Ramalingam S, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 15; 78(2):835-43. PubMed ID: 21216183
    [Abstract] [Full Text] [Related]

  • 25. FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations.
    Ramalingam S, Anbusrinivasan P, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 15; 78(2):826-34. PubMed ID: 21216662
    [Abstract] [Full Text] [Related]

  • 26. Vibrational spectral analysis and first hyperpolarizability studies of 1-bromonaphthalene based on ab initio and DFT methods.
    Arivazhagan M, Rexalin DA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 15; 83(1):553-60. PubMed ID: 21958519
    [Abstract] [Full Text] [Related]

  • 27. Vibrational spectra and fundamental structural assignments from HF and DFT calculations of methyl benzoate.
    Sundaraganesan N, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 15; 68(3):771-7. PubMed ID: 17433769
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  • 28. 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]

  • 29. Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory.
    Arjunan V, Balamourougane PS, Saravanan I, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 15; 74(3):798-807. PubMed ID: 19716338
    [Abstract] [Full Text] [Related]

  • 30. 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]

  • 31. Vibrational spectra and assignments of 2-amino-5-iodopyridine by ab initio Hartree-Fock and density functional methods.
    Sundaraganesan N, Meganathan C, Anand B, Joshua BD, Lapouge C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul 01; 67(3-4):830-6. PubMed ID: 17018261
    [Abstract] [Full Text] [Related]

  • 32. 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 01; 65(5):1186-96. PubMed ID: 16822710
    [Abstract] [Full Text] [Related]

  • 33. 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 01; 64(3):586-94. PubMed ID: 16387534
    [Abstract] [Full Text] [Related]

  • 34. FT-IR and FT-Raman investigation, computed vibrational intensity analysis and computed vibrational frequency analysis on m-Xylol using ab-initio HF and DFT calculations.
    Prabhu T, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep 01; 79(5):948-55. PubMed ID: 21550300
    [Abstract] [Full Text] [Related]

  • 35. Vibrational spectroscopy (FT-IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3-naphthalenediol.
    Shoba D, Periandy S, Karabacak M, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 01; 83(1):540-52. PubMed ID: 21943712
    [Abstract] [Full Text] [Related]

  • 36. 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 01; 66(1):17-27. PubMed ID: 16815087
    [Abstract] [Full Text] [Related]

  • 37. 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
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  • 38. Quantum chemical and spectroscopic investigations of 5-aminoquinoline.
    Arjunan V, Mohan S, Balamourougane PS, Ravindran P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec 01; 74(5):1215-23. PubMed ID: 19854675
    [Abstract] [Full Text] [Related]

  • 39. Vibrational spectroscopic (FTIR and FTRaman) investigation using ab initio (HF) and DFT (LSDA and B3LYP) analysis on the structure of Toluic acid.
    Babu PD, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Apr 01; 78(4):1321-8. PubMed ID: 21273116
    [Abstract] [Full Text] [Related]

  • 40. Vibrational spectroscopic, electronic and quantum chemical investigations on 2,3-hexadiene.
    Jayaprakash A, Arjunan V, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct 15; 81(1):620-30. PubMed ID: 21763179
    [Abstract] [Full Text] [Related]

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