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441 related items for PubMed ID: 16822710

  • 21. 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]

  • 22. 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; 67(3-4):830-6. PubMed ID: 17018261
    [Abstract] [Full Text] [Related]

  • 23. 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; 78(2):575-81. PubMed ID: 21185772
    [Abstract] [Full Text] [Related]

  • 24. 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]

  • 25. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 5-chloro-10-oxa-3-thia-tricyclo[5.2.1.0(1,5)]dec-8-ene-3,3-dioxide.
    Arslan H, Demircan A, Göktürk E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan 15; 69(1):105-12. PubMed ID: 17475544
    [Abstract] [Full Text] [Related]

  • 26. Molecular structure and vibrational spectra of 3-chloro-4-fluoro benzonitrile by ab initio HF and density functional method.
    Sundaraganesan N, Meganathan C, Joshua BD, Mani P, Jayaprakash A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 01; 71(3):1134-9. PubMed ID: 18448383
    [Abstract] [Full Text] [Related]

  • 27. 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 01; 78(2):826-34. PubMed ID: 21216662
    [Abstract] [Full Text] [Related]

  • 28. 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]

  • 29. 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]

  • 30. FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine.
    Sundaraganesan N, Ilakiamani S, Saleem H, Wojciechowski PM, Michalska D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Oct 15; 61(13-14):2995-3001. PubMed ID: 16165042
    [Abstract] [Full Text] [Related]

  • 31. Spectroscopic (FTIR and FT Raman) analysis and vibrational study on 2,3-dimethyl naphthalene using ab-initio HF and DFT calculations.
    Prabhu T, Periandy S, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 15; 78(2):566-74. PubMed ID: 21185771
    [Abstract] [Full Text] [Related]

  • 32. 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 15; 75(5):1552-8. PubMed ID: 20227335
    [Abstract] [Full Text] [Related]

  • 33. FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N,N'-dimethylamino pyridine.
    Sundaraganesan N, Kalaichelvan S, Meganathan C, Joshua BD, Cornard J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 01; 71(3):898-906. PubMed ID: 18358770
    [Abstract] [Full Text] [Related]

  • 34. FT-IR, FT-Raman, ab initio and DFT structural and vibrational frequency analysis of 6-aminopenicillanic acid.
    Swaminathan J, Ramalingam M, Sethuraman V, Sundaraganesan N, Sebastian S, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jan 01; 75(1):183-90. PubMed ID: 19897407
    [Abstract] [Full Text] [Related]

  • 35. Vibrational spectroscopy investigation using ab initio and DFT vibrational analysis of 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepine-4-oxide.
    Prasath M, Muthu S, Arun Balaji R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep 01; 113():224-35. PubMed ID: 23732619
    [Abstract] [Full Text] [Related]

  • 36. 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]

  • 37. Vibrational spectra and assignments of 5-amino-2-chlorobenzoic acid by ab initio Hartree-Fock and density functional methods.
    Sundaraganesan N, Joshua BD, Settu K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Feb 01; 66(2):381-8. PubMed ID: 16843714
    [Abstract] [Full Text] [Related]

  • 38. 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]

  • 39. Vibrational analysis of 4-amino pyrazolo (3,4-d) pyrimidine A joint FTIR, Laser Raman and scaled quantum mechanical studies.
    Arivazhagan M, Senthil kumar J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov 15; 82(1):228-34. PubMed ID: 21824808
    [Abstract] [Full Text] [Related]

  • 40. 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]

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