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Xavier, R. John, Gobinath, E. (2012) Density functional theory study on characterization of 3-chloro-1,2-benzisothiazole. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 91. 248-255 doi:10.1016/j.saa.2012.01.083

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Reference TypeJournal (article/letter/editorial)
TitleDensity functional theory study on characterization of 3-chloro-1,2-benzisothiazole
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsXavier, R. JohnAuthor
Gobinath, E.Author
Year2012 (June)Volume91
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2012.01.083Search in ResearchGate
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Mindat Ref. ID16392593Long-form Identifiermindat:1:5:16392593:0
GUID0
Full ReferenceXavier, R. John, Gobinath, E. (2012) Density functional theory study on characterization of 3-chloro-1,2-benzisothiazole. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 91. 248-255 doi:10.1016/j.saa.2012.01.083
Plain TextXavier, R. John, Gobinath, E. (2012) Density functional theory study on characterization of 3-chloro-1,2-benzisothiazole. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 91. 248-255 doi:10.1016/j.saa.2012.01.083
In(2012) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 91. Elsevier BV

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Xavier, R. John, Gobinath, E. (2012) Experimental and theoretical spectroscopic studies, HOMO–LUMO, NBO and NLMO analysis of 3,5-dibromo-2,6-dimethoxy pyridine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 97. 215-222 doi:10.1016/j.saa.2012.06.008
Krishnakumar, V., Dheivamalar, S., Xavier, R. John, Balachandran, V. (2006) Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 65 (1) 147-154 doi:10.1016/j.saa.2005.09.039
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