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Journal Abstract Search

234 related items for PubMed ID: 21391638

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  • 2. Vibrational spectroscopy of the G...C base pair: experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings.
    Brauer B, Gerber RB, Kabelác M, Hobza P, Bakker JM, Abo Riziq AG, de Vries MS.
    J Phys Chem A; 2005 Aug 11; 109(31):6974-84. PubMed ID: 16834057
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  • 3. Approximate solution of the mode-mode coupling integral: Application to cytosine and its deuterated derivative.
    Rasheed T, Ahmad S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Oct 01; 77(2):446-56. PubMed ID: 20638327
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  • 4. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
    Stare J, Panek J, Eckert J, Grdadolnik J, Mavri J, Hadzi D.
    J Phys Chem A; 2008 Feb 21; 112(7):1576-86. PubMed ID: 18225869
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  • 7. Vibrational spectroscopy of protonated imidazole and its complexes with water molecules: ab initio anharmonic calculations and experiments.
    Adesokan AA, Chaban GM, Dopfer O, Gerber RB.
    J Phys Chem A; 2007 Aug 09; 111(31):7374-81. PubMed ID: 17500546
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  • 9. Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.
    Danecek P, Kapitán J, Baumruk V, Bednárová L, Kopecký V, Bour P.
    J Chem Phys; 2007 Jun 14; 126(22):224513. PubMed ID: 17581069
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  • 10. Ab initio vibrational calculations for H2SO4 and H2SO4 x H2O: spectroscopy and the nature of the anharmonic couplings.
    Miller Y, Chaban GM, Gerber RB.
    J Phys Chem A; 2005 Jul 28; 109(29):6565-74. PubMed ID: 16834003
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  • 14. Hybrid MP2/MP4 potential surfaces in VSCF calculations of IR spectra: applications for organic molecules.
    Knaanie R, Šebek J, Kalinowski J, Benny Gerber R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Feb 05; 119():2-11. PubMed ID: 23838574
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  • 15. Gas-phase vibrational spectroscopy and ab initio study of organophosphorus compounds: discrimination between species and conformers.
    Cuisset A, Mouret G, Pirali O, Roy P, Cazier F, Nouali H, Demaison J.
    J Phys Chem B; 2008 Oct 02; 112(39):12516-25. PubMed ID: 18781711
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  • 16. Mid-IR spectra of different conformers of phenylalanine in the gas phase.
    von Helden G, Compagnon I, Blom MN, Frankowski M, Erlekam U, Oomens J, Brauer B, Gerber RB, Meijer G.
    Phys Chem Chem Phys; 2008 Mar 07; 10(9):1248-56. PubMed ID: 18292858
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  • 17. 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
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  • 18. Computational vibrational spectroscopy of peptides and proteins in one and two dimensions.
    Jeon J, Yang S, Choi JH, Cho M.
    Acc Chem Res; 2009 Sep 15; 42(9):1280-9. PubMed ID: 19456096
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  • 20. Conformational stability, structural parameters and vibrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate.
    Durig JR, Zheng C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 15; 68(3):783-95. PubMed ID: 17433767
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