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Journal Abstract Search

187 related items for PubMed ID: 20014411

  • 1. Computing chiroptical properties with first-principles theoretical methods: background and illustrative examples.
    Autschbach J.
    Chirality; 2009; 21 Suppl 1():E116-52. PubMed ID: 20014411
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  • 2. Time-dependent density functional response theory for electronic chiroptical properties of chiral molecules.
    Autschbach J, Nitsch-Velasquez L, Rudolph M.
    Top Curr Chem; 2011; 298():1-98. PubMed ID: 21321799
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  • 3. 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
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  • 4. Determination of the absolute configuration of a chiral oxadiazol-3-one calcium channel blocker, resolved using chiral chromatography, via concerted density functional theory calculations of its vibrational circular dichroism, electronic circular dichroism, and optical rotation.
    Stephens PJ, Devlin FJ, Gasparrini F, Ciogli A, Spinelli D, Cosimelli B.
    J Org Chem; 2007 Jun 22; 72(13):4707-15. PubMed ID: 17516678
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  • 5. Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: the iso-schizozygane alkaloids isoschizogaline and isoschizogamine.
    Stephens PJ, Pan JJ, Devlin FJ, Urbanová M, Julínek O, Hájícek J.
    Chirality; 2008 Mar 22; 20(3-4):454-70. PubMed ID: 17853399
    [Abstract] [Full Text] [Related]

  • 6. Computational modeling of the optical rotation of amino acids: a new look at an old rule for pH dependence of optical rotation.
    Kundrat MD, Autschbach J.
    J Am Chem Soc; 2008 Apr 02; 130(13):4404-14. PubMed ID: 18331032
    [Abstract] [Full Text] [Related]

  • 7. Vibrational Raman optical activity of 1-phenylethanol and 1-phenylethylamine: revisiting old friends.
    Kapitán J, Johannessen C, Bour P, Hecht L, Barron LD.
    Chirality; 2009 Apr 02; 21 Suppl 1():E4-12. PubMed ID: 19544353
    [Abstract] [Full Text] [Related]

  • 8. Calculations of vibrationally resonant sum- and difference-frequency-generation spectra of chiral molecules in solutions: three-wave-mixing vibrational optical activity.
    Choi JH, Cheon S, Cho M.
    J Chem Phys; 2010 Feb 21; 132(7):074506. PubMed ID: 20170236
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  • 9. Determination of the absolute configuration of aromatase and dual aromatase-sulfatase inhibitors by vibrational and electronic circular dichroism spectra analysis.
    Abbate S, Longhi G, Castiglioni E, Lebon F, Wood PM, Woo LW, Potter BV.
    Chirality; 2009 Oct 21; 21(9):802-8. PubMed ID: 19161217
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  • 11. Determination of the absolute configurations at stereogenic centers in the presence of axial chirality.
    Polavarapu PL, Jeirath N, Kurtán T, Pescitelli G, Krohn K.
    Chirality; 2009 Oct 21; 21 Suppl 1():E202-7. PubMed ID: 19899152
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  • 17. Recent theoretical and experimental advances in the electronic circular dichroisms of planar chiral cyclophanes.
    Mori T, Inoue Y.
    Top Curr Chem; 2011 Oct 21; 298():99-128. PubMed ID: 21321800
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  • 18. Electronic and vibrational optical activity of several peptides related to neurohypophyseal hormones: disulfide group conformation.
    Pazderková M, Bednárová L, Dlouhá H, Flegel M, Lebl M, Hlaváček J, Setnička V, Urbanová M, Hynie S, Klenerová V, Baumruk V, Maloň P.
    Biopolymers; 2012 Nov 21; 97(11):923-32. PubMed ID: 22899367
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  • 19. Conformational aspects in the studies of organic compounds by electronic circular dichroism.
    Pescitelli G, Di Bari L, Berova N.
    Chem Soc Rev; 2011 Sep 21; 40(9):4603-25. PubMed ID: 21677932
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