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Journal Abstract Search

127 related items for PubMed ID: 17049912

  • 21. 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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  • 22. Scaled quantum chemical calculations and FT-IR, FT-Raman spectral analysis of 2-methyl piperazine.
    Krishnakumar V, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 16; 68(3):833-8. PubMed ID: 17317283
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  • 23. FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study.
    Karabacak M, Karagöz D, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jun 16; 72(5):1076-83. PubMed ID: 19213598
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  • 24. Harmonic dynamics of alpha- and beta-methyl-D-galactopyranoside in the crystalline state.
    Sekkal N, Taleb-Mokhtari IN, Sekkal-Rahal M, Bleckmann P, Vergoten G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2003 Oct 16; 59(12):2883-96. PubMed ID: 14499848
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  • 29. Vibrational spectra and structure of isopropylbenzene.
    Fishman AI, Noskov AI, Remizov AB, Chachkov DV.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 01; 71(3):1128-33. PubMed ID: 18440860
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  • 31. FT-Raman and infrared spectra and vibrational assignments for 3-chloro-4-methoxybenzaldehyde, as supported by ab initio, hybrid density functional theory and normal coordinate calculations.
    Hiremath CS, Yenagi J, Tonannavar J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 01; 68(3):710-7. PubMed ID: 17418630
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  • 32. Conformational stability, vibrational assignmenents, barriers to internal rotations and ab initio calculations of 2-aminophenol (d 0 and d3).
    Soliman UA, Hassan AM, Mohamed TA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 01; 68(3):688-700. PubMed ID: 17376737
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  • 33. Gas-phase structure, rotational barrier, and vibrational properties of methyl methanethiosulfonate, CH3SO2SCH3: an experimental and computational study.
    Tuttolomondo ME, Navarro A, Ruiz TP, Varetti EL, Hayes SA, Wann DA, Robertson HE, Rankin DW, Altabef AB.
    J Phys Chem A; 2007 Oct 04; 111(39):9952-60. PubMed ID: 17760430
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  • 34. Assessing the electric-field approximation to IR and Raman spectra of dilute HOD in D2O.
    Ljungberg MP, Lyubartsev AP, Nilsson A, Pettersson LG.
    J Chem Phys; 2009 Jul 21; 131(3):034501. PubMed ID: 19624203
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  • 35. Comparison of experimental and density functional study on the molecular structure, infrared and Raman spectra and vibrational assignments of 6-chloronicotinic acid.
    Karabacak M, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 01; 71(3):876-83. PubMed ID: 18358772
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  • 36. Vibrational spectra and assignments of 3-aminobenzyl alcohol by ab initio Hartree-Fock and density functional method.
    Sundaraganesan N, Anand B, Meganathan C, Joshua BD, Saleem H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan 01; 69(1):198-204. PubMed ID: 17512242
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  • 39. Density functional theory investigation of hydrogen bonding effects on the oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors of anhydrous chitosan crystalline structure.
    Esrafili MD, Elmi F, Hadipour NL.
    J Phys Chem A; 2007 Feb 08; 111(5):963-70. PubMed ID: 17266238
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