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782 related items for PubMed ID: 19298067

  • 1. Combined experimental studies and theoretical calculations to yield the complete molecular structure and vibrational spectra of (CH3)3GeH.
    Roldán ML, Brandán SA, Masters Née Hinchley SL, Wann DA, Robertson HE, Rankin DW, Altabef AB.
    J Phys Chem A; 2009 Apr 30; 113(17):5195-204. PubMed ID: 19298067
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  • 4. Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 2-Methylpyrazine.
    Krishnakumar V, Prabavathi N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 May 30; 72(4):743-7. PubMed ID: 19121975
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  • 5. Structure and vibrational frequencies of 1-naphthaldehyde based on density functional theory calculations.
    Krishnakumar V, Prabavathi N, Muthunatesan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb 30; 69(2):528-33. PubMed ID: 17553736
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  • 6. Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of succinimide and N-bromosuccinimide.
    Krishnakumar V, Xavier RJ, Chithambarathanu T.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec 30; 62(4-5):931-9. PubMed ID: 15950535
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  • 7. FT-IR, FT-Raman spectra and quantum chemical calculations of 3,4-dimethoxyaniline.
    Sundaraganesan N, Priya M, Meganathan C, Joshua BD, Cornard JP.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun 30; 70(1):50-9. PubMed ID: 17765601
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  • 8. Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone.
    Raissi H, Nowroozi A, Farzad F, Bojd MS.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov 30; 62(1-3):343-52. PubMed ID: 16257735
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  • 9. 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 30; 72(5):1076-83. PubMed ID: 19213598
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  • 11. An experimental and theoretical study of molecular structure and vibrational spectra of 3- and 4-pyridineboronic acid molecules by density functional theory calculations.
    Kurt M, Sertbakan TR, Ozduran M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Aug 30; 70(3):664-73. PubMed ID: 17933583
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  • 15. Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations.
    Krishnakumar V, Dheivamalar S, Xavier RJ, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Sep 30; 65(1):147-54. PubMed ID: 16330246
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  • 17. The spectroscopic (FTIR, FT-IR gas phase and FT-Raman), first order hyperpolarizabilities, NMR analysis of 2,4-dichloroaniline by ab initio HF and density functional methods.
    Sundaraganesan N, Karpagam J, Sebastian S, Cornard JP.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul 30; 73(1):11-9. PubMed ID: 19251476
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  • 18. Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.
    Hiremath CS, Kalkoti GB, Aralakkanavar MK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep 15; 74(1):200-4. PubMed ID: 19560961
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  • 19. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride.
    Sundaraganesan N, Illakiamani S, Meganathan C, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 May 15; 67(1):214-24. PubMed ID: 16945578
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