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Journal Abstract Search

1448 related items for PubMed ID: 19251476

  • 41. 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; 68(3):771-7. PubMed ID: 17433769
    [Abstract] [Full Text] [Related]

  • 42. 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; 79(5):948-55. PubMed ID: 21550300
    [Abstract] [Full Text] [Related]

  • 43. Vibrational spectroscopy [FTIR and FTRaman] investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 4-chloro 2-methylaniline using HF and DFT [LSDA, B3LYP and B3PW91] calculations.
    Ramalingam S, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar; 78(3):1149-61. PubMed ID: 21237700
    [Abstract] [Full Text] [Related]

  • 44. 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; 66(3):773-80. PubMed ID: 16870498
    [Abstract] [Full Text] [Related]

  • 45. 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]

  • 46. Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline.
    Arjunan V, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Mar; 72(2):436-44. PubMed ID: 19081287
    [Abstract] [Full Text] [Related]

  • 47. 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; 72(4):783-8. PubMed ID: 19112045
    [Abstract] [Full Text] [Related]

  • 48. 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; 78(1):429-36. PubMed ID: 21146451
    [Abstract] [Full Text] [Related]

  • 49. The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method.
    Chandra S, Saleem H, Sebastian S, Sundaraganesan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 May; 78(5):1515-24. PubMed ID: 21377921
    [Abstract] [Full Text] [Related]

  • 50. Molecular structure, IR and NMR spectra of 2,6 distyrylpyridine by density functional theory and ab initio Hartree-Fock calculations.
    Atalay Y, Başoğlu A, Avci D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb; 69(2):460-6. PubMed ID: 17540615
    [Abstract] [Full Text] [Related]

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  • 52. 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]

  • 53. 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]

  • 54. 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]

  • 55. 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 01; 83(1):553-60. PubMed ID: 21958519
    [Abstract] [Full Text] [Related]

  • 56. FT-Raman and FT-IR spectra, ab initio and density functional studies of 2-amino-4,5-difluorobenzoic acid.
    Sundaraganesan N, Ilakiamani S, Dominic Joshua B.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun 01; 67(2):287-97. PubMed ID: 16919499
    [Abstract] [Full Text] [Related]

  • 57. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 4-chloro-2-(trifluoromethyl) aniline based on DFT calculations.
    Arivazhagan M, Subhasini VP, Austine A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 01; 86():205-13. PubMed ID: 22074887
    [Abstract] [Full Text] [Related]

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  • 60. 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 01; 79(5):962-9. PubMed ID: 21561799
    [Abstract] [Full Text] [Related]

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