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Journal Abstract Search

202 related items for PubMed ID: 26342821

  • 41.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 42. Vibrational assignment, HOMO-LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory.
    Rajalakshmi K, Gunasekaran S, Kumaresan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():466-79. PubMed ID: 24813275
    [Abstract] [Full Text] [Related]

  • 43.
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  • 44. 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]

  • 45. Molecular structure (monomeric and dimeric) and hydrogen bonds in 5-benzyl 2-thiohydantoin studied by FT-IR and FT-Raman spectroscopy and DFT calculations.
    Deval V, Kumar A, Gupta V, Sharma A, Gupta A, Tandon P, Kunimoto KK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():15-26. PubMed ID: 24845873
    [Abstract] [Full Text] [Related]

  • 46. Vibrational spectra (FT-IR, FT-Raman), frontier molecular orbital, first hyperpolarizability, NBO analysis and thermodynamics properties of Piroxicam by HF and DFT methods.
    Suresh S, Gunasekaran S, Srinivasan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 05; 138():447-59. PubMed ID: 25523048
    [Abstract] [Full Text] [Related]

  • 47. FT-IR, FT-Raman, ab initio and DFT structural, vibrational frequency and HOMO-LUMO analysis of 1-naphthaleneacetic acid methyl ester.
    Nagabalasubramanian PB, Karabacak M, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov 05; 82(1):169-80. PubMed ID: 21820351
    [Abstract] [Full Text] [Related]

  • 48. Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.
    Hiremath CS, Kalkoti GB, Aralakkanavar MK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep 15; 74(1):200-4. PubMed ID: 19560961
    [Abstract] [Full Text] [Related]

  • 49.
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  • 50. Experimental and computational study on molecular structure and vibrational analysis of 4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol by normal coordinate treatment.
    Santhana Krishnan V, SampathKrishnan S, Muthu S, Renuga S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 15; 115():191-201. PubMed ID: 23832226
    [Abstract] [Full Text] [Related]

  • 51. A vibrational spectroscopy study on anserine and its aqueous solutions.
    Akkaya Y, Balci K, Goren Y, Akyuz S, Stricker MC, Stover DD, Ritzhaupt G, Collier WB.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Nov 15; 149():812-21. PubMed ID: 25997178
    [Abstract] [Full Text] [Related]

  • 52. Vibrational spectroscopy investigation and HOMO, LUMO analysis using DFT (B3LYP) on the structure of 1,3-dichloro 5-nitrobenzene.
    Gayathri R, Arivazhagan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct 15; 81(1):242-50. PubMed ID: 21767978
    [Abstract] [Full Text] [Related]

  • 53. Normal coordinate analysis, molecular structure, vibrational, electronic spectra and NMR investigation of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione by ab initio HF and DFT method.
    Bahgat K, Fraihat S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 25; 135():1145-55. PubMed ID: 25195198
    [Abstract] [Full Text] [Related]

  • 54. Structural characteristics and harmonic vibrational analysis of the stable conformer of 2,3-epoxypropanol by quantum chemical methods.
    Arjunan V, Rani T, Santhanam R, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 25; 96():24-34. PubMed ID: 22652541
    [Abstract] [Full Text] [Related]

  • 55. FTIR and Raman spectra and SQM force field calculation for vibrational analysis of 2,3,4- and 2,3,6-tri-fluoro-anilines.
    Mukherjee V, Singh K, Singh NP, Yadav RA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul 25; 73(1):44-53. PubMed ID: 19264537
    [Abstract] [Full Text] [Related]

  • 56. FT-IR, FT-Raman, UV-visible, and NMR spectroscopy and vibrational properties of the labdane-type diterpene 13-epi-sclareol.
    Chain FE, Leyton P, Paipa C, Fortuna M, Brandán SA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 05; 138():303-13. PubMed ID: 25498827
    [Abstract] [Full Text] [Related]

  • 57. Vibrational spectra, quantum chemical calculations and spectral assignments of 1,1-difluoro-1-silacyclohexane.
    Guirgis GA, Dukes HW, Wyatt JK, Nielsen CJ, Horn A, Aleksa V, Klaeboe P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt A():51-7. PubMed ID: 24238936
    [Abstract] [Full Text] [Related]

  • 58. Molecular structure analysis and spectroscopic characterization of 9-methoxy-2H-furo[3,2-g]chromen-2-one with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations.
    Swarnalatha N, Gunasekaran S, Muthu S, Nagarajan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():721-9. PubMed ID: 25262140
    [Abstract] [Full Text] [Related]

  • 59. 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]

  • 60. Studies of the molecular geometry, vibrational spectra, frontier molecular orbital, nonlinear optical and thermodynamics properties of aceclofenac by quantum chemical calculations.
    Suresh S, Gunasekaran S, Srinivasan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 05; 125():239-51. PubMed ID: 24556133
    [Abstract] [Full Text] [Related]

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