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Journal Abstract Search

111 related items for PubMed ID: 12477047

  • 1. Harmonic dynamics of beta-D-fructopyranose.
    Benbrahim N, Sekkal-Rahal M, Vergoten G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2002 Nov; 58(13):3021-31. PubMed ID: 12477047
    [Abstract] [Full Text] [Related]

  • 2. Normal coordinates analyses of beta-D-allose and alpha-D-talose in the crystalline state.
    Reguieg C, Yousfi N, Sekkal-Rahal M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):966-75. PubMed ID: 17049912
    [Abstract] [Full Text] [Related]

  • 3. Modified UBFF calculations of the alpha-L-fucopyranose molecule in the crystalline state.
    Taleb-Mokhtari IN, Rahal-Sekkal M, Vergoten G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2003 Feb; 59(3):607-16. PubMed ID: 12524131
    [Abstract] [Full Text] [Related]

  • 4. Harmonic dynamics of alpha- and beta-methyl-D-galactopyranoside in the crystalline state.
    Sekkal N, Taleb-Mokhtari IN, Sekkal-Rahal M, Bleckmann P, Vergoten G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2003 Oct; 59(12):2883-96. PubMed ID: 14499848
    [Abstract] [Full Text] [Related]

  • 5. Vibrational normal modes calculation in the crystalline state of methylated monosaccharides: Anomers of the methyl-D-glucopyranoside and methyl-D-xylopyranoside molecules.
    Taleb-Mokhtari IN, Lazreg A, Sekkal-Rahal M, Bestaoui N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan 15; 153():363-73. PubMed ID: 26342821
    [Abstract] [Full Text] [Related]

  • 6. Normal coordinates analyses of disaccharides constituted by D-glucose, D-galactose and D-fructose units.
    Mahdad-Benzerdjeb A, Taleb-Mokhtari IN, Sekkal-Rahal M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Oct 15; 68(2):284-99. PubMed ID: 17350882
    [Abstract] [Full Text] [Related]

  • 7. NH-S hydrogen bonding in zinc enzyme model complex with S2N2 binding set studied by normal coordinate analysis of vibrational spectra.
    Shi XF, Sun WY, Zhang L, Li CD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2000 Feb 15; 56(3):603-13. PubMed ID: 10794475
    [Abstract] [Full Text] [Related]

  • 8. Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of 4-chlorobenzothioamide.
    Çırak Ç, Sert Y, Ucun F.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep 15; 113():130-6. PubMed ID: 23714189
    [Abstract] [Full Text] [Related]

  • 9. 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 15; 78(5):1515-24. PubMed ID: 21377921
    [Abstract] [Full Text] [Related]

  • 10. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
    Muthu S, Ramachandran G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 15; 121():394-403. PubMed ID: 24280302
    [Abstract] [Full Text] [Related]

  • 11. Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.
    Agarwal P, Bee S, Gupta A, Tandon P, Rastogi VK, Mishra S, Rawat P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 15; 121():464-82. PubMed ID: 24287056
    [Abstract] [Full Text] [Related]

  • 12. 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 15; 112():52-61. PubMed ID: 23659951
    [Abstract] [Full Text] [Related]

  • 13. Molecular structure, normal coordinate analysis, harmonic vibrational frequencies, NBO, HOMO-LUMO analysis and detonation properties of (S)-2-(2-oxopyrrolidin-1-yl) butanamide by density functional methods.
    Renuga S, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 24; 118():702-15. PubMed ID: 24096066
    [Abstract] [Full Text] [Related]

  • 14. A comparative study on the experimental and calculated results of mid-infrared and Raman vibrational modes of nucleic acid bases.
    Wang F, Zhao D, Jiang L, Xu L, Sun H, Liu Y.
    J Mol Graph Model; 2017 Jun 24; 74():305-314. PubMed ID: 28475967
    [Abstract] [Full Text] [Related]

  • 15. 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 24; 78(2):582-9. PubMed ID: 21190895
    [Abstract] [Full Text] [Related]

  • 16. Fructose-water-dimethylsulfoxide interactions by vibrational spectroscopy and molecular dynamics simulations.
    Nikolakis V, Mushrif SH, Herbert B, Booksh KS, Vlachos DG.
    J Phys Chem B; 2012 Sep 13; 116(36):11274-83. PubMed ID: 22861526
    [Abstract] [Full Text] [Related]

  • 17. Intermolecular charge transfer and vibrational analysis of hydrogen bonding in acetazolamide.
    Chaturvedi D, Gupta V, Tandon P, Sharma A, Baraldi C, Gamberini MC.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec 13; 99():150-9. PubMed ID: 23063858
    [Abstract] [Full Text] [Related]

  • 18. Experimental and theoretical investigation of the molecular structure, conformational stability, hyperpolarizability, electrostatic potential, thermodynamic properties and NMR spectra of pharmaceutical important molecule: 4'-methylpropiophenone.
    Karunakaran V, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul 15; 128():1-14. PubMed ID: 24657464
    [Abstract] [Full Text] [Related]

  • 19. A combined experimental and theoretical studies on FT-IR, FT-Raman and UV-vis spectra of 2-chloro-3-quinolinecarboxaldehyde.
    Prasad MV, Udaya Sri N, Veeraiah V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Sep 05; 148():163-74. PubMed ID: 25879986
    [Abstract] [Full Text] [Related]

  • 20. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.
    Saravanan S, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():604-20. PubMed ID: 24813291
    [Abstract] [Full Text] [Related]

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