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Journal Abstract Search

357 related items for PubMed ID: 23792238

  • 1. Density functional theory study, FT-IR and FT-Raman spectra and SQM force field calculation for vibrational analysis of 1, 3-Bis (hydroxymethyl) benzimidazolin-2-one.
    Joseph L, Sajan D, Chaitanya K, Devarajegowda HC, Isac J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():432-40. PubMed ID: 23792238
    [Abstract] [Full Text] [Related]

  • 2. An experimental and theoretical investigation of Acenaphthene-5-boronic acid: conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV spectra.
    Karabacak M, Sinha L, Prasad O, Asiri AM, Cinar M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():753-66. PubMed ID: 23892116
    [Abstract] [Full Text] [Related]

  • 3. Analysis of vibrational spectra of L-alanylglycine based on density functional theory calculations.
    Padmaja L, Ravikumar C, James C, Jayakumar VS, Hubert Joe I.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov 01; 71(1):252-62. PubMed ID: 18243781
    [Abstract] [Full Text] [Related]

  • 4. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
    Sebastian S, Sundaraganesan N, Karthikeiyan B, Srinivasan V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 01; 78(2):590-600. PubMed ID: 21195659
    [Abstract] [Full Text] [Related]

  • 5. Vibrational spectra and normal coordinate analysis of plant growth regulator 1-naphthalene acetamide.
    Ravikumar C, Padmaja L, Hubert Joe I.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Feb 01; 75(2):859-66. PubMed ID: 20047855
    [Abstract] [Full Text] [Related]

  • 6. The spectroscopic (FTIR, FT-Raman and UV-Vis spectra), DFT and normal coordinate computations of m-nitromethylbenzoate.
    Gnanasambandan T, Gunasekaran S, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Aug 01; 112():52-61. PubMed ID: 23659951
    [Abstract] [Full Text] [Related]

  • 7. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
    Krishnan AR, Saleem H, Subashchandrabose S, Sundaraganesan N, Sebastain S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 01; 78(2):582-9. PubMed ID: 21190895
    [Abstract] [Full Text] [Related]

  • 8. NBO analysis and vibrational spectra of 2,6-bis(p-methyl benzylidene cyclohexanone) using density functional theory.
    Padmaja L, Amalanathan M, Ravikumar C, Hubert Joe I.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 01; 74(2):349-56. PubMed ID: 19640777
    [Abstract] [Full Text] [Related]

  • 9. Molecular structure analysis and spectroscopic characterization of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations.
    Paulraj EI, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr 01; 106():310-20. PubMed ID: 23462668
    [Abstract] [Full Text] [Related]

  • 10. 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 01; 78(5):1515-24. PubMed ID: 21377921
    [Abstract] [Full Text] [Related]

  • 11. DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.
    Balachandran V, Mahalakshmi G, Lakshmi A, Janaki A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 01; 97():1101-10. PubMed ID: 22929905
    [Abstract] [Full Text] [Related]

  • 12. FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline.
    Arivazhagan M, Anitha Rexalin D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 01; 96():668-76. PubMed ID: 22885079
    [Abstract] [Full Text] [Related]

  • 13. FT-Raman, FT-IR and UV-visible spectral investigations and ab initio computations of anti-epileptic drug: vigabatrin.
    Edwin B, Joe IH.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct 01; 114():633-41. PubMed ID: 23811150
    [Abstract] [Full Text] [Related]

  • 14.
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  • 15. Experimental (FT-IR and FT-Raman), electronic structure and DFT studies on 1-methoxynaphthalene.
    Govindarajan M, Ganasan K, Periandy S, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug 01; 79(3):646-53. PubMed ID: 21530378
    [Abstract] [Full Text] [Related]

  • 16.
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  • 17. Molecular structure, vibrational spectra and (13)C and (1)H NMR spectral analysis of 1-methylnaphthalene by ab initio HF and DFT methods.
    Shailajha S, Rajesh Kannan U, Sheik Abdul Kadhar SP, Isac Paulraj E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 133():720-9. PubMed ID: 24996214
    [Abstract] [Full Text] [Related]

  • 18.
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  • 19. Molecular structure and spectroscopic analysis of 1,4-Bis(1-methyl-2-benzimidazolyl)benzene; XRD, FT-IR, dispersive-Raman, NMR and DFT studies.
    Eren B, Unal A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Feb 15; 103():222-31. PubMed ID: 23261617
    [Abstract] [Full Text] [Related]

  • 20. Molecular structure and vibrational spectroscopic studies of Chrysin using HF and Density Functional Theory.
    Sundaraganesan N, Mariappan G, Manoharan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 15; 87():67-76. PubMed ID: 22153594
    [Abstract] [Full Text] [Related]

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