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615 related items for PubMed ID: 18035588

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  • 4. 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; 70(1):201-9. PubMed ID: 17822949
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  • 6. 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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  • 7. 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; 62(4-5):931-9. PubMed ID: 15950535
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  • 10. Vibrational spectra and potential energy distributions for 4,5-dichloro-3-hydroxypyridazine by density functional theory and normal coordinate calculations.
    Krishnakumar V, Ramasamy R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Sep; 61(11-12):2526-32. PubMed ID: 16043044
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  • 14. Density functional theory calculations and vibrational spectra of 3,5-dibromopyridine and 3,5-dichloro-2,4,6-trifluoropyridine.
    Krishnakumar V, Xavier RJ.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan 01; 61(1-2):253-60. PubMed ID: 15556447
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  • 16. 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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  • 17. DFT (LSDA, B3LYP and B3PW91) comparative vibrational spectroscopic analysis of alpha-acetonaphthone.
    Govindarajan M, Ganasan K, Periandy S, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jun 01; 76(1):12-21. PubMed ID: 20308014
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  • 18. FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of alpha,alpha dichlorotoluene.
    Nagabalasubramanian PB, Periandy S, Mohan S, Govindarajan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul 15; 73(2):277-80. PubMed ID: 19345137
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  • 20. Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment.
    Krishnakumar V, Prabavathi N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov 15; 71(2):449-57. PubMed ID: 18282798
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