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Journal Abstract Search

236 related items for PubMed ID: 21724454

  • 21. FT-IR, FT-Raman spectra and ab initio DFT vibrational analysis of p-bromophenoxyacetic acid.
    Sundaraganesan N, Meganathan C, Anand B, Lapouge C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Mar; 66(3):773-80. PubMed ID: 16870498
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  • 24. Synthesis, FTIR, FT-Raman, UV-visible, ab initio and DFT studies on benzohydrazide.
    Arjunan V, Rani T, Mythili CV, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):486-96. PubMed ID: 21531171
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  • 26. FT-IR, FT-Raman, NMR spectra and DFT calculations on 4-chloro-N-methylaniline.
    Rani AU, Sundaraganesan N, Kurt M, Cinar M, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1523-9. PubMed ID: 20299282
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  • 27. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
    Krishnan AR, Saleem H, Subashchandrabose S, Sundaraganesan N, Sebastain S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):582-9. PubMed ID: 21190895
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  • 29. DFT simulations and vibrational analysis of FT-IR and FT-Raman spectra of 2,4-diamino-6-hydroxypyrimidine.
    Subramanian MK, Anbarasan PM, Manimegalai S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug 15; 73(4):642-9. PubMed ID: 19406685
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  • 30. 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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  • 34. DFT, FT-IR and Raman investigations of 1-pyrrolidino-1-cyclopentene.
    Keşan G, Kaya MF, Bilge M, Alver Ö, Parlak C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jan 15; 101():22-30. PubMed ID: 23099156
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  • 35. 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 15; 72(4):743-7. PubMed ID: 19121975
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  • 36. 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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  • 37. FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations.
    Ramalingam S, Periandy S, Elanchezhian B, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan 01; 78(1):429-36. PubMed ID: 21146451
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  • 38. Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene.
    Arunagiri C, Arivazhagan M, Subashini A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep 01; 79(5):1747-56. PubMed ID: 21680229
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  • 39. Density functional theory studies on vibrational and electronic spectra of 2-chloro-6-methoxypyridine.
    Arjunan V, Isaac AS, Rani T, Mythili CV, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 May 01; 78(5):1625-32. PubMed ID: 21382743
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