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304 related items for PubMed ID: 17508378

  • 1. Circular dichroism and conformational dynamics of cephams and their carba and oxa analogues.
    Frelek J, Kowalska P, Masnyk M, Kazimierski A, Korda A, Woźnica M, Chmielewski M, Furche F.
    Chemistry; 2007; 13(23):6732-44. PubMed ID: 17508378
    [Abstract] [Full Text] [Related]

  • 2. Ring-expanded bicyclic β-lactams: a structure-chiroptical properties relationship investigation by experiment and calculations.
    Woźnica M, Butkiewicz A, Grzywacz A, Kowalska P, Masnyk M, Michalak K, Luboradzki R, Furche F, Kruse H, Grimme S, Frelek J.
    J Org Chem; 2011 May 06; 76(9):3306-19. PubMed ID: 21438506
    [Abstract] [Full Text] [Related]

  • 3. Structure-chiroptical properties relationship in clavams: an experimental and theoretical study.
    Chmielewski M, Cierpucha M, Kowalska P, Kwit M, Frelek J.
    Chirality; 2008 May 15; 20(5):621-7. PubMed ID: 17924419
    [Abstract] [Full Text] [Related]

  • 4. Determination of the absolute configuration of [3(2)](1,4)barrelenophanedicarbonitrile using concerted time-dependent density functional theory calculations of optical rotation and electronic circular dichroism.
    Stephens PJ, McCann DM, Devlin FJ, Cheeseman JR, Frisch MJ.
    J Am Chem Soc; 2004 Jun 23; 126(24):7514-21. PubMed ID: 15198598
    [Abstract] [Full Text] [Related]

  • 5. Absolute structural elucidation of natural products--a focus on quantum-mechanical calculations of solid-state CD spectra.
    Pescitelli G, Kurtán T, Flörke U, Krohn K.
    Chirality; 2009 Jun 23; 21 Suppl 1():E181-201. PubMed ID: 19902530
    [Abstract] [Full Text] [Related]

  • 6. Study of conformational properties of a biologically active peptide of fibronectin by circular dichroism, NMR and molecular dynamics simulation.
    Abbate S, Barlati S, Colombi M, Fornili SL, Francescato P, Gangemi F, Lebon F, Longhi G, Manitto P, Recca T, Speranza G, Zoppi N.
    Phys Chem Chem Phys; 2006 Oct 28; 8(40):4668-77. PubMed ID: 17047765
    [Abstract] [Full Text] [Related]

  • 7. Systematic investigation of CD spectra of aryl benzyl sulfoxides interpreted by means of TDDFT calculations.
    Pescitelli G, Di Pietro S, Cardellicchio C, Capozzi MA, Di Bari L.
    J Org Chem; 2010 Feb 19; 75(4):1143-54. PubMed ID: 20099930
    [Abstract] [Full Text] [Related]

  • 8. Assignment of the absolute configuration of zwitterionic and neutral macropodumines by means of TDDFT CD calculations.
    Guo YW, Kurtán T, Krohn K, Pescitelli G, Zhang W.
    Chirality; 2009 Jun 19; 21(6):561-8. PubMed ID: 18726942
    [Abstract] [Full Text] [Related]

  • 9. Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: the iridoids plumericin and isoplumericin.
    Stephens PJ, Pan JJ, Devlin FJ, Krohn K, Kurtán T.
    J Org Chem; 2007 Apr 27; 72(9):3521-36. PubMed ID: 17388636
    [Abstract] [Full Text] [Related]

  • 10. Theoretical simulation of the electronic circular dichroism spectrum of calicheamicin.
    Giorgio E, Tanaka K, Ding W, Krishnamurthy G, Pitts K, Ellestad GA, Rosini C, Berova N.
    Bioorg Med Chem; 2005 Sep 01; 13(17):5072-9. PubMed ID: 16051103
    [Abstract] [Full Text] [Related]

  • 11. Direct calculations of vibrational absorption and circular dichroism spectra of alanine dipeptide analog in water: quantum mechanical/molecular mechanical molecular dynamics simulations.
    Yang S, Cho M.
    J Chem Phys; 2009 Oct 07; 131(13):135102. PubMed ID: 19814574
    [Abstract] [Full Text] [Related]

  • 12. Absolute configuration of tropane alkaloids bearing two alpha,beta-unsaturated ester functions using electronic CD spectroscopy: application to (R,R)-trans-3-hydroxysenecioyloxy-6-senecioyloxytropane.
    Humam M, Christen P, Muñoz O, Hostettmann K, Jeannerat D.
    Chirality; 2008 Jan 07; 20(1):20-5. PubMed ID: 17924425
    [Abstract] [Full Text] [Related]

  • 13. Study on the absolute configuration of levetiracetam via density functional theory calculations of electronic circular dichroism and optical rotatory dispersion.
    Li L, Si YK.
    J Pharm Biomed Anal; 2011 Nov 01; 56(3):465-70. PubMed ID: 21794998
    [Abstract] [Full Text] [Related]

  • 14. Theoretical UV circular dichroism of cyclo(L-Proline-L-Proline).
    Carlson KL, Lowe SL, Hoffmann MR, Thomasson KA.
    J Phys Chem A; 2006 Feb 09; 110(5):1925-33. PubMed ID: 16451026
    [Abstract] [Full Text] [Related]

  • 15. A theoretical study of the chiroptical properties of molecules with isotopically engendered chirality.
    Dierksen M, Grimme S.
    J Chem Phys; 2006 May 07; 124(17):174301. PubMed ID: 16689565
    [Abstract] [Full Text] [Related]

  • 16. Electronic CD study of a helical peptide incorporating Z-dehydrophenylalanine residues: conformation dependence of the simulated CD spectra.
    Komori H, Inai Y.
    J Phys Chem A; 2006 Jul 27; 110(29):9099-107. PubMed ID: 16854021
    [Abstract] [Full Text] [Related]

  • 17. Time dependent density functional theory calculations for electronic circular dichroism spectra and optical rotations of conformationally flexible chiral donor-acceptor dyad.
    Mori T, Inoue Y, Grimme S.
    J Org Chem; 2006 Dec 22; 71(26):9797-806. PubMed ID: 17168599
    [Abstract] [Full Text] [Related]

  • 18. Vibrational circular dichroism and IR spectral analysis as a test of theoretical conformational modeling for a cyclic hexapeptide.
    Bour P, Kim J, Kapitan J, Hammer RP, Huang R, Wu L, Keiderling TA.
    Chirality; 2008 Nov 22; 20(10):1104-19. PubMed ID: 18506832
    [Abstract] [Full Text] [Related]

  • 19. Phosphorylation effect on the GSSS peptide conformation in water: infrared, vibrational circular dichroism, and circular dichroism experiments and comparisons with molecular dynamics simulations.
    Lee KK, Joo C, Yang S, Han H, Cho M.
    J Chem Phys; 2007 Jun 21; 126(23):235102. PubMed ID: 17600445
    [Abstract] [Full Text] [Related]

  • 20. Circular dichroism and absorption spectroscopy of merocyanine dimer aggregates: molecular properties and exciton transfer dynamics from time-dependent quantum calculations.
    Seibt J, Lohr A, Würthner F, Engel V.
    Phys Chem Chem Phys; 2007 Dec 21; 9(47):6214-8. PubMed ID: 18046470
    [Abstract] [Full Text] [Related]

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