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Journal Abstract Search

671 related items for PubMed ID: 16942910

  • 21. Vibrational spectra and fundamental structural assignments from HF and DFT calculations of methyl benzoate.
    Sundaraganesan N, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):771-7. PubMed ID: 17433769
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  • 26. FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations.
    Ramalingam S, Anbusrinivasan P, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):826-34. PubMed ID: 21216662
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  • 30. Vibrational spectrum and assignments of 2-(4-methoxyphenyl)-1H-benzo[d]imidazole by ab initio Hartree-Fock and density functional methods.
    Arslan H, Algül O.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):109-16. PubMed ID: 17728175
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  • 32. An ab initio and DFT study of structure and vibrational spectra of gamma form of oleic acid: comparison to experimental data.
    Mishra S, Chaturvedi D, Kumar N, Tandon P, Siesler HW.
    Chem Phys Lipids; 2010 Feb; 163(2):207-17. PubMed ID: 19941842
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  • 36. Molecular structure and vibrational spectra of 3-chloro-4-fluoro benzonitrile by ab initio HF and density functional method.
    Sundaraganesan N, Meganathan C, Joshua BD, Mani P, Jayaprakash A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 01; 71(3):1134-9. PubMed ID: 18448383
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  • 39. 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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  • 40. Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory.
    Arjunan V, Balamourougane PS, Saravanan I, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 15; 74(3):798-807. PubMed ID: 19716338
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