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151 related items for PubMed ID: 16539437

  • 1. Time dependent density functional theory modeling of chiroptical properties of small amino acids in solution.
    Kundrat MD, Autschbach J.
    J Phys Chem A; 2006 Mar 23; 110(11):4115-23. PubMed ID: 16539437
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  • 2. 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
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  • 3. Vibrational spectra of alpha-amino acids in the zwitterionic state in aqueous solution and the solid state: DFT calculations and the influence of hydrogen bonding.
    Chowdhry BZ, Dines TJ, Jabeen S, Withnall R.
    J Phys Chem A; 2008 Oct 16; 112(41):10333-47. PubMed ID: 18816033
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  • 4. Adsorption of proline and glycine on the TiO2(110) surface: a density functional theory study.
    Tonner R.
    Chemphyschem; 2010 Apr 06; 11(5):1053-61. PubMed ID: 20301172
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  • 5. 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
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  • 12. Estimation on the intramolecular 10-membered ring N-H...O=C hydrogen-bonding energies in glycine and alanine peptides.
    Zhang Y, Wang CS.
    J Comput Chem; 2009 Jun 02; 30(8):1251-60. PubMed ID: 18991303
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  • 13. Interpretation of synchrotron radiation circular dichroism spectra of anionic, cationic, and zwitterionic dialanine forms.
    Sebek J, Gyurcsik B, Sebestík J, Kejík Z, Bednarova L, Bour P.
    J Phys Chem A; 2007 Apr 12; 111(14):2750-60. PubMed ID: 17388375
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  • 14. Comparison of time-dependent density-functional theory and coupled cluster theory for the calculation of the optical rotations of chiral molecules.
    Crawford TD, Stephens PJ.
    J Phys Chem A; 2008 Feb 14; 112(6):1339-45. PubMed ID: 18198852
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  • 15. Time-dependent density functional response theory for electronic chiroptical properties of chiral molecules.
    Autschbach J, Nitsch-Velasquez L, Rudolph M.
    Top Curr Chem; 2011 Feb 14; 298():1-98. PubMed ID: 21321799
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  • 16. Structures of dense glycine and alanine adlayers on chiral Cu(3,1,17) surfaces.
    Rankin RB, Sholl DS.
    Langmuir; 2006 Sep 12; 22(19):8096-103. PubMed ID: 16952247
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  • 17. Metal cation dependence of interactions with amino acids: bond energies of Cs+ to Gly, Pro, Ser, Thr, and Cys.
    Armentrout PB, Chen Y, Rodgers MT.
    J Phys Chem A; 2012 Apr 26; 116(16):3989-99. PubMed ID: 22452793
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  • 20. Modeling photoabsorption of the asFP595 chromophore.
    Bravaya KB, Bochenkova AV, Granovsky AA, Savitsky AP, Nemukhin AV.
    J Phys Chem A; 2008 Sep 18; 112(37):8804-10. PubMed ID: 18729441
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