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Mukherjee, V., Singh, N.P., Yadav, R.A. (2010) FTIR and Raman spectra and optimized geometry of 2,3,6-tri-fluorobenzoic acid dimer: A DFT and SQMFF study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (4) 787-794 doi:10.1016/j.saa.2010.08.005

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Reference TypeJournal (article/letter/editorial)
TitleFTIR and Raman spectra and optimized geometry of 2,3,6-tri-fluorobenzoic acid dimer: A DFT and SQMFF study
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsMukherjee, V.Author
Singh, N.P.Author
Yadav, R.A.Author
Year2010 (November)Volume77
Issue4
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2010.08.005Search in ResearchGate
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Mindat Ref. ID16391327Long-form Identifiermindat:1:5:16391327:2
GUID0
Full ReferenceMukherjee, V., Singh, N.P., Yadav, R.A. (2010) FTIR and Raman spectra and optimized geometry of 2,3,6-tri-fluorobenzoic acid dimer: A DFT and SQMFF study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (4) 787-794 doi:10.1016/j.saa.2010.08.005
Plain TextMukherjee, V., Singh, N.P., Yadav, R.A. (2010) FTIR and Raman spectra and optimized geometry of 2,3,6-tri-fluorobenzoic acid dimer: A DFT and SQMFF study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (4) 787-794 doi:10.1016/j.saa.2010.08.005
In(2010, November) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 77 (4) Elsevier BV

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Mukherjee, V., Singh, N.P., Yadav, R.A. (2009) FTIR and Raman spectra, DFT and normal coordinate computations of 2,4,5- and 2,4,6-tri-fluoroanilines. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 73 (2) 249-256 doi:10.1016/j.saa.2009.02.014
Mukherjee, V., Singh, Karunakar, Singh, N.P., Yadav, R.A. (2009) FTIR and Raman spectra and SQM force field calculation for vibrational analysis of 2,3,4- and 2,3,6-tri-fluoro-anilines. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 73 (1) 44-53 doi:10.1016/j.saa.2009.01.024
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Mukherjee, V., Singh, N.P., Yadav, R.A. (2011) Optimized geometry and vibrational spectra and NBO analysis of solid state 2,4,6-tri-fluorobenzoic acid hydrogen bonded dimer. Journal of Molecular Structure, 988 (1) 24-34 doi:10.1016/j.molstruc.2010.11.064
Mukherjee, V., Singh, N.P., Yadav, R.A. (2010) FTIR and Raman spectra, DFT and SQMFF calculations for geometrical interpretation and vibrational analysis of some trifluorobenzoic acid dimers. Vibrational Spectroscopy, 52 (2) 163-172 doi:10.1016/j.vibspec.2010.01.008
Mukherjee, V., Singh, N.P., Yadav, R.A. (2013) Theoretical DFT study on spectroscopic signature and molecular dynamics of neurotransmitter and effect of hydrogen removal. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 107. 46-54 doi:10.1016/j.saa.2012.12.088
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Singh, Priyanka, Yadav, T.K., Karabacak, M., Yadav, R.A., Singh, N.P. (2012) RETRACTED: Experimental FT-IR, FT-Raman spectra and quantum chemical studies of optimized molecular structures, conformers and vibrational characteristics of nicotinic acid and thio-nicotinic acid. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96. 163-178 doi:10.1016/j.saa.2012.04.063
Mukherjee, V., Singh, N.P., Yadav, R.A. (2011) Vibrational fundamentals and natural bond orbitals analysis of some tri-fluorinated benzonitriles in ground state. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 81 (1) 609-619 doi:10.1016/j.saa.2011.06.063
Singh, Priyanka, Yadav, T.K., Karabacak, M., Yadav, R.A., Singh, N.P. (2012) Retraction notice to: Experimental FT-IR, FT-Raman spectra and quantum chemical studies of optimized molecular structures, conformers and vibrational characteristics of Nicotinic acid and Thio-nicotinic acid [Spectrochim. Acta Part A: Mol. Biomol. Spectrosc. 96 (2012) 163–178]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96. doi:10.1016/j.saa.2012.08.042
 
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