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Alparone, Andrea, Librando, Vito (2012) IR and Raman spectra of nitroanthracene isomers: Substitional effects based on density functional theory study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 89. 129-136 doi:10.1016/j.saa.2011.12.052

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Reference TypeJournal (article/letter/editorial)
TitleIR and Raman spectra of nitroanthracene isomers: Substitional effects based on density functional theory study
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsAlparone, AndreaAuthor
Librando, VitoAuthor
Year2012 (April)Volume89
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2011.12.052Search in ResearchGate
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Mindat Ref. ID16392519Long-form Identifiermindat:1:5:16392519:0
GUID0
Full ReferenceAlparone, Andrea, Librando, Vito (2012) IR and Raman spectra of nitroanthracene isomers: Substitional effects based on density functional theory study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 89. 129-136 doi:10.1016/j.saa.2011.12.052
Plain TextAlparone, Andrea, Librando, Vito (2012) IR and Raman spectra of nitroanthracene isomers: Substitional effects based on density functional theory study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 89. 129-136 doi:10.1016/j.saa.2011.12.052
In(2012) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 89. Elsevier BV

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Alparone, Andrea, Librando, Vito (2013) Prediction of mutagenic activity of nitrophenanthrene and nitroanthracene isomers by simulated IR and Raman spectra. Chemosphere, 90 (2). 158-163 doi:10.1016/j.chemosphere.2012.06.020
Alparone, Andrea, Librando, Vito (2012) Comment on: “FT-IR, FT-Raman and UV spectral investigation; computed frequency estimation analysis and electronic structure calculations on 1-nitronaphthalene” by M. Govindarajan and M. Karabacak [Spectrochim. Acta A 85 (2012) 251–260]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 98. 479-480 doi:10.1016/j.saa.2012.08.070
Alparone, Andrea (2014) Anharmonic IR and Raman spectra and electronic and vibrational (hyper)polarizabilities of barbituric, 2-thiobarbituric and 2-selenobarbituric acids. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 117. 669-678 doi:10.1016/j.saa.2013.09.060
Alparone, Andrea (2011) Spectroscopic properties of neuroleptics: IR and Raman spectra of Risperidone (Risperdal) and of its mono- and di-protonated forms. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 81 (1) 631-639 doi:10.1016/j.saa.2011.06.065
Yang, Yue, Gao, Hongwei (2013) Density functional theory study on the molecular structure and vibration spectra of fenbufen. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 101. 119-126 doi:10.1016/j.saa.2012.09.034
Krishnakumar, V., Balachandran, V., Chithambarathanu, T. (2005) Density functional theory study of the FT-IR spectra of phthalimide and N-bromophthalimide. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 62 (4) 918-925 doi:10.1016/j.saa.2005.02.051
Liu, Lekun, Gao, Hongwei (2012) Molecular structure and vibrational spectra of ibuprofen using density function theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 89. 201-209 doi:10.1016/j.saa.2011.12.068
Yang, Yue, Gao, Hongwei (2013) Theoretical structure and vibrational spectra of ciprofloxacin: Density functional theory study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 102. 134-141 doi:10.1016/j.saa.2012.10.029
Librando, Vito, Alparone, Andrea (2008) Prediction of mutagenic activity of nitronaphthalene isomers by infrared and Raman spectroscopy. Journal of Hazardous Materials, 154. 1158-1165 doi:10.1016/j.jhazmat.2007.11.020
Krishnakumar, V., Dheivamalar, S. (2008) Density functional theory study of Fourier transform infrared and Raman spectra of 2-amino-5-chloro benzonitrile. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 71 (2) 465-470 doi:10.1016/j.saa.2007.11.028
Singh, J.S. (2014) IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-aminouracil. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 130. 313-328 doi:10.1016/j.saa.2014.04.034
 
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