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Journal Abstract Search

356 related items for PubMed ID: 16833905

  • 21. Density functional theory study of vibrational spectra and assignment of fundamental vibrational modes of 1-methyl-4-piperidone.
    Krishnakumar V, Keresztury G, Sundius T, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):845-50. PubMed ID: 17482868
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  • 22. Spectroscopic and computational study of β-ethynylphenylene substituted zinc and free-base porphyrins.
    Earles JC, Gordon KC, Stephenson AW, Partridge AC, Officer DL.
    Phys Chem Chem Phys; 2011 Jan 28; 13(4):1597-605. PubMed ID: 21125110
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  • 23. FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N,N'-dimethylamino pyridine.
    Sundaraganesan N, Kalaichelvan S, Meganathan C, Joshua BD, Cornard J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 01; 71(3):898-906. PubMed ID: 18358770
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  • 24. Scaled quantum chemical studies on the vibrational spectra of 4-bromo benzonitrile.
    Krishnakumar V, Surumbarkuzhali N, Muthunatesan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jan 01; 71(5):1810-3. PubMed ID: 18715825
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  • 25. Vibrational spectroscopic studies and DFT calculations of 4-aminoantipyrine.
    Swaminathan J, Ramalingam M, Sethuraman V, Sundaraganesan N, Sebastian S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug 15; 73(4):593-600. PubMed ID: 19386538
    [Abstract] [Full Text] [Related]

  • 26. Vibrational spectra and structure of 5,6-diamino uracil and 5,6-dihydro-5-methyl uracil by density functional theory calculations.
    Krishnakumar V, Ramasamy R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Feb 15; 66(2):503-11. PubMed ID: 16920007
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  • 27. Spectroscopic and DFT studies of flurbiprofen as dimer and its Cu(II) and Hg(II) complexes.
    Sagdinc S, Pir H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul 15; 73(1):181-94. PubMed ID: 19285917
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  • 28. 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 15; 70(1):50-9. PubMed ID: 17765601
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  • 32. Conformational and vibrational study of platinum(II) anticancer drugs: cis-diamminedichloro-platinum(II) as a case study.
    Amado AM, Fiuza SM, Marques MP, Batista de Carvalho LA.
    J Chem Phys; 2007 Nov 14; 127(18):185104. PubMed ID: 18020667
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  • 33. Conformational and vibrational analysis of methyl methanesulfonate, CH3SO2OCH3.
    Tuttolomondo ME, Navarro A, Peña T, Varetti EL, Parker SF, Ben Altabef A.
    J Phys Chem A; 2009 Jul 23; 113(29):8401-8. PubMed ID: 19569677
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  • 35. Structures and vibrational frequencies of 2-naphthoic acid and 6-bromo-2-naphthoic acid based on density functional theory calculations.
    Krishnakumar V, Mathammal R, Muthunatesan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun 23; 70(1):201-9. PubMed ID: 17822949
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  • 38. Application of MCD spectroscopy and TD-DFT to a highly non-planar porphyrinoid ring system. New insights on red-shifted porphyrinoid spectral bands.
    Mack J, Asano Y, Kobayashi N, Stillman MJ.
    J Am Chem Soc; 2005 Dec 21; 127(50):17697-711. PubMed ID: 16351099
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