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Krishnakumar, V., Muthunatesan, S. (2005) Density functional study and the vibrational spectra of 4-chloro-5-fluoro-1,2-phenylenediamine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 61 (1) 199-204 doi:10.1016/j.saa.2004.03.028

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Reference TypeJournal (article/letter/editorial)
TitleDensity functional study and the vibrational spectra of 4-chloro-5-fluoro-1,2-phenylenediamine
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsKrishnakumar, V.Author
Muthunatesan, S.Author
Year2005 (January)Volume61
Issue1
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2004.03.028Search in ResearchGate
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Mindat Ref. ID16387653Long-form Identifiermindat:1:5:16387653:9
GUID0
Full ReferenceKrishnakumar, V., Muthunatesan, S. (2005) Density functional study and the vibrational spectra of 4-chloro-5-fluoro-1,2-phenylenediamine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 61 (1) 199-204 doi:10.1016/j.saa.2004.03.028
Plain TextKrishnakumar, V., Muthunatesan, S. (2005) Density functional study and the vibrational spectra of 4-chloro-5-fluoro-1,2-phenylenediamine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 61 (1) 199-204 doi:10.1016/j.saa.2004.03.028
In(2005, January) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 61 (1) Elsevier BV

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Krishnakumar, V., Prabavathi, N., Muthunatesan, S. (2008) Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of 1-bromo 4-fluoronaphthalene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 70 (5) 991-996 doi:10.1016/j.saa.2007.07.063
Krishnakumar, V., Prabavathi, N., Muthunatesan, S. (2008) Density functional theory calculations and vibrational spectra of 6-methyl 1,2,3,4-tetrahyroquinoline. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 69 (3) 853-859 doi:10.1016/j.saa.2007.05.034
Krishnakumar, V., Mathammal, R., Muthunatesan, S. (2008) FT-IR and Raman spectra vibrational assignments and density functional calculations of 1-naphthyl acetic acid. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 70 (1) 210-216 doi:10.1016/j.saa.2007.06.040
Krishnakumar, V., Ramasamy, R. (2005) Density functional theory study on the structure and vibrational spectra for cyanuric chloride. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 61 (13) 3112-3116 doi:10.1016/j.saa.2004.11.038
Krishnakumar, V., Prabavathi, N., Muthunatesan, S. (2008) Structure and vibrational frequencies of 1-naphthaldehyde based on density functional theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 69 (2) 528-533 doi:10.1016/j.saa.2007.04.031
Krishnakumar, V., Surumbarkuzhali, N., Muthunatesan, S. (2009) Scaled quantum chemical studies on the vibrational spectra of 4-bromo benzonitrile. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 71 (5) 1810-1813 doi:10.1016/j.saa.2008.06.037
Krishnakumar, V., Prabavathi, N. (2009) Analysis of vibrational spectra of 1-chloro-2,4-dinitrobenzene based on density functional theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 72 (4) 738-742 doi:10.1016/j.saa.2008.11.013
Krishnakumar, V., Xavier, R.John (2005) Density functional theory calculations and vibrational spectra of 3,5-dibromopyridine and 3,5-dichloro-2,4,6-trifluoropyridine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 61 (1) 253-260 doi:10.1016/j.saa.2004.03.038
Krishnakumar, V., Barathi, D., Mathammal, R. (2012) Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 1,2-dichloro-4-nitrobenzene and 2,3,5,6-tetrachloro-1-nitrobenzene based on density functional calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 86. 196-204 doi:10.1016/j.saa.2011.10.024
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