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225 related items for PubMed ID: 16856171

  • 1. Kramers-Kronig transformation of experimental electronic circular dichroism: application to the analysis of optical rotatory dispersion in dimethyl-L-tartrate.
    Polavarapu PL, Petrovic AG, Zhang P.
    Chirality; 2006 Sep; 18(9):723-32. PubMed ID: 16856171
    [Abstract] [Full Text] [Related]

  • 2. Kramers-Kronig transformation for optical rotatory dispersion studies.
    Polavarapu PL.
    J Phys Chem A; 2005 Aug 18; 109(32):7013-23. PubMed ID: 16834064
    [Abstract] [Full Text] [Related]

  • 3. Absolute configuration of C76 from optical rotatory dispersion.
    Polavarapu PL, He J, Crassous J, Ruud K.
    Chemphyschem; 2005 Dec 09; 6(12):2535-40. PubMed ID: 16270369
    [Abstract] [Full Text] [Related]

  • 4. Conformational sensitivity of chiroptical spectroscopic methods: 6,6'-dibromo-1,1'-bi-2-naphthol.
    Polavarapu PL, Jeirath N, Walia S.
    J Phys Chem A; 2009 May 07; 113(18):5423-31. PubMed ID: 19366240
    [Abstract] [Full Text] [Related]

  • 5. Fast generation of nonresonant and resonant optical rotatory dispersion curves with the help of circular dichroism calculations and Kramers-Kronig transformations.
    Rudolph M, Autschbach J.
    Chirality; 2008 Sep 07; 20(9):995-1008. PubMed ID: 18335484
    [Abstract] [Full Text] [Related]

  • 6. Chiroptical spectroscopic determination of molecular structures of chiral sulfinamides: t-butanesulfinamide.
    Petrovic AG, Polavarapu PL.
    J Phys Chem A; 2007 Nov 01; 111(43):10938-43. PubMed ID: 17924612
    [Abstract] [Full Text] [Related]

  • 7. Calculation of circular dichroism spectra from optical rotatory dispersion, and vice versa, as complementary tools for theoretical studies of optical activity using time-dependent density functional theory.
    Krykunov M, Kundrat MD, Autschbach J.
    J Chem Phys; 2006 Nov 21; 125(19):194110. PubMed ID: 17129092
    [Abstract] [Full Text] [Related]

  • 8. 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]

  • 9. Time dependent density functional theory modeling of specific rotation and optical rotatory dispersion of the aromatic amino acids in solution.
    Kundrat MD, Autschbach J.
    J Phys Chem A; 2006 Nov 30; 110(47):12908-17. PubMed ID: 17125308
    [Abstract] [Full Text] [Related]

  • 10. Calculation of optical rotatory dispersion and electronic circular dichroism for tris-bidentate groups 8 and 9 metal complexes, with emphasis on exciton coupling.
    Rudolph M, Autschbach J.
    J Phys Chem A; 2011 Mar 31; 115(12):2635-49. PubMed ID: 21375228
    [Abstract] [Full Text] [Related]

  • 11. Spectroscopic investigation of the structures of dialkyl tartrates and their cyclodextrin complexes.
    Zhang P, Polavarapu PL.
    J Phys Chem A; 2007 Feb 08; 111(5):858-71. PubMed ID: 17266226
    [Abstract] [Full Text] [Related]

  • 12. Importance of solvation in understanding the chiroptical spectra of natural products in solution phase: garcinia acid dimethyl ester.
    Polavarapu PL, Scalmani G, Hawkins EK, Rizzo C, Jeirath N, Ibnusaud I, Habel D, Nair DS, Haleema S.
    J Nat Prod; 2011 Mar 25; 74(3):321-8. PubMed ID: 21114277
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. Stereochemistry of the tadalafil diastereoisomers: a critical assessment of vibrational circular dichroism, electronic circular dichroism, and optical rotatory dispersion.
    Qiu S, De Gussem E, Tehrani KA, Sergeyev S, Bultinck P, Herrebout W.
    J Med Chem; 2013 Nov 14; 56(21):8903-14. PubMed ID: 24116968
    [Abstract] [Full Text] [Related]

  • 15. Molecular and supramolecular chirality in gemini-tartrate amphiphiles studied by electronic and vibrational circular dichroisms.
    Brizard A, Berthier D, Aimé C, Buffeteau T, Cavagnat D, Ducasse L, Huc I, Oda R.
    Chirality; 2009 Nov 14; 21 Suppl 1():E153-62. PubMed ID: 19899157
    [Abstract] [Full Text] [Related]

  • 16. Absolute configuration of C2-symmetric spiroselenurane: 3,3,3',3'-tetramethyl-1,1'-spirobi[3 H,2,1]benzoxaselenole.
    Petrovic AG, Polavarapu PL, Drabowicz J, Zhang Y, McConnell OJ, Duddeck H.
    Chemistry; 2005 Jul 04; 11(14):4257-62. PubMed ID: 15864799
    [Abstract] [Full Text] [Related]

  • 17. Renaissance in chiroptical spectroscopic methods for molecular structure determination.
    Polavarapu PL.
    Chem Rec; 2007 Jul 04; 7(2):125-36. PubMed ID: 17394174
    [Abstract] [Full Text] [Related]

  • 18. Determination of absolute configurations of 4-hydroxyequilenin-cytosine and -adenine adducts by optical rotatory dispersion, electronic circular dichroism, density functional theory calculations, and mass spectrometry.
    Ding S, Wang Y, Kolbanovskiy A, Durandin A, Bolton JL, van Breemen RB, Broyde S, Geacintov NE.
    Chem Res Toxicol; 2008 Sep 04; 21(9):1739-48. PubMed ID: 18680315
    [Abstract] [Full Text] [Related]

  • 19. Absolute configurations of DNA lesions determined by comparisons of experimental ECD and ORD spectra with DFT calculations.
    Ding S, Kolbanovskiy A, Durandin A, Crean C, Shafirovich V, Broyde S, Geacintov NE.
    Chirality; 2009 Sep 04; 21 Suppl 1(0 1):E231-41. PubMed ID: 19937959
    [Abstract] [Full Text] [Related]

  • 20. Ab initio calculation of optical rotatory dispersion (ORD) curves: a simple and reliable approach to the assignment of the molecular absolute configuration.
    Giorgio E, Viglione RG, Zanasi R, Rosini C.
    J Am Chem Soc; 2004 Oct 13; 126(40):12968-76. PubMed ID: 15469294
    [Abstract] [Full Text] [Related]

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