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Journal Abstract Search

230 related items for PubMed ID: 22036005

  • 21. Determination of conformational and spectroscopic features of ethyl trans-alfa-cyano-3-indole-acrylate compound: an experimental and quantum chemical study.
    Cinar M, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():428-36. PubMed ID: 23274474
    [Abstract] [Full Text] [Related]

  • 22. FT-IR, FT-Raman and UV spectral investigation: computed frequency estimation analysis and electronic structure calculations on chlorobenzene using HF and DFT.
    Govindarajan M, Karabacak M, Udayakumar V, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Mar; 88():37-48. PubMed ID: 22197345
    [Abstract] [Full Text] [Related]

  • 23. Quantum chemical calculation (electronic and topologic) and experimental (FT-IR, FT-Raman and UV) analysis of isonicotinic acid N-oxide.
    Karaca C, Atac A, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Apr 05; 140():85-95. PubMed ID: 25589390
    [Abstract] [Full Text] [Related]

  • 24. FT-IR, FT-Raman and UV spectral investigation; computed frequency estimation analysis and electronic structure calculations on 1-nitronaphthalene.
    Govindarajan M, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan 05; 85(1):251-60. PubMed ID: 22024459
    [Abstract] [Full Text] [Related]

  • 25. Spectroscopic (FT-IR, FT-Raman and UV-vis) investigation and frontier molecular orbitals analysis on 3-methyl-2-nitrophenol using hybrid computational calculations.
    Mahadevan D, Periandy S, Karabacak M, Ramalingam S, Puviarasan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 05; 86():139-51. PubMed ID: 22074882
    [Abstract] [Full Text] [Related]

  • 26. Vibrational (FT-IR and FT-Raman), electronic (UV-Vis), NMR (1H and 13C) spectra and reactivity analyses of 4,5-dimethyl-o-phenylenediamine.
    Atac A, Karaca C, Gunnaz S, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():516-25. PubMed ID: 24813280
    [Abstract] [Full Text] [Related]

  • 27. The spectroscopic (FT-IR, FT-Raman, UV) and first order hyperpolarizability, HOMO and LUMO analysis of 3-aminobenzophenone by density functional method.
    Karabacak M, Kurt M, Cinar M, Ayyappan S, Sudha S, Sundaraganesan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun 15; 92():365-76. PubMed ID: 22446786
    [Abstract] [Full Text] [Related]

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  • 31. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method.
    Chaitanya K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 15; 86():159-73. PubMed ID: 22137747
    [Abstract] [Full Text] [Related]

  • 32. FT-IR and FT-Raman, NMR and UV spectroscopic investigation and hybrid computational (HF and DFT) analysis on the molecular structure of mesitylene.
    Kose E, Atac A, Karabacak M, Nagabalasubramanian PB, Asiri AM, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Dec 15; 116():622-34. PubMed ID: 23978748
    [Abstract] [Full Text] [Related]

  • 33. 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]

  • 34. FT-IR and FT-Raman spectra, normal coordinate analysis and ab initio computations of Trimesic acid.
    Mahalakshmi G, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 24; 124():535-47. PubMed ID: 24508892
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  • 36. FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of butylated hydroxy toluene.
    Babu PC, Sundaraganesan N, Dereli Ö, Türkkan E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug 24; 79(3):562-9. PubMed ID: 21501967
    [Abstract] [Full Text] [Related]

  • 37. Determination of structural, spectrometric and nonlinear optical features of 2-(4-hydroxyphenylazo)benzoic acid by experimental techniques and quantum chemical calculations.
    Cinar M, Yildiz N, Karabacak M, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar 15; 105():80-7. PubMed ID: 23295214
    [Abstract] [Full Text] [Related]

  • 38. Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods.
    Isac Paulraj E, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 15; 108():38-49. PubMed ID: 23454843
    [Abstract] [Full Text] [Related]

  • 39. Spectroscopic analysis (FT-IR/FT-Raman) and molecular structure investigation on m-fluoronitrobenzene using hybrid computational calculations.
    Ramalingam S, Karabacak M, Periandy S, Puviarasan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Aug 15; 94():318-30. PubMed ID: 22534557
    [Abstract] [Full Text] [Related]

  • 40. Theoretical study on molecular structure and vibrational analysis included FT-IR, FT-Raman and UV techniques of 2,4,5-trimethylbenzoic acid (monomer and dimer structures).
    Karabacak M, Bilgili S, Atac A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 05; 134():598-607. PubMed ID: 25132184
    [Abstract] [Full Text] [Related]

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