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Rastogi, V.K., Alcolea Palafox, M., Tomar, Rashmi, Singh, Upama (2013) 2-Amino-3,5-dichlorobenzonitrile: DFT calculations in the monomer and dimer forms, FT-IR and FT-Raman spectra, molecular geometry, atomic charges and thermodynamical parameters. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 110. 458-470 doi:10.1016/j.saa.2013.03.026

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Reference TypeJournal (article/letter/editorial)
Title2-Amino-3,5-dichlorobenzonitrile: DFT calculations in the monomer and dimer forms, FT-IR and FT-Raman spectra, molecular geometry, atomic charges and thermodynamical parameters
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsRastogi, V.K.Author
Alcolea Palafox, M.Author
Tomar, RashmiAuthor
Singh, UpamaAuthor
Year2013 (June)Volume110
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2013.03.026Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16393921Long-form Identifiermindat:1:5:16393921:0
GUID0
Full ReferenceRastogi, V.K., Alcolea Palafox, M., Tomar, Rashmi, Singh, Upama (2013) 2-Amino-3,5-dichlorobenzonitrile: DFT calculations in the monomer and dimer forms, FT-IR and FT-Raman spectra, molecular geometry, atomic charges and thermodynamical parameters. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 110. 458-470 doi:10.1016/j.saa.2013.03.026
Plain TextRastogi, V.K., Alcolea Palafox, M., Tomar, Rashmi, Singh, Upama (2013) 2-Amino-3,5-dichlorobenzonitrile: DFT calculations in the monomer and dimer forms, FT-IR and FT-Raman spectra, molecular geometry, atomic charges and thermodynamical parameters. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 110. 458-470 doi:10.1016/j.saa.2013.03.026
In(2013) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 110. Elsevier BV

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Alcolea Palafox, M., Bhat, Daisy, Goyal, Yasha, Ahmad, Shabbir, Hubert Joe, I., Rastogi, V.K. (2015) FT-IR and FT-Raman spectra, MEP and HOMO–LUMO of 2,5-dichlorobenzonitrile: DFT study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 136. 464-472 doi:10.1016/j.saa.2014.09.058
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Cuellar, A., Alcolea Palafox, M., Rastogi, V.K., Kiefer, W., Schlücker, S., Rathor, S.K. (2014) FT-IR and FT-Raman spectra of 5-fluoroorotic acid with solid state simulation by DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 132. 430-445 doi:10.1016/j.saa.2014.04.107
Alcolea Palafox, M., Rastogi, V.K., Singh, S.P. (2018) FT-IR and FT-Raman spectra of 5-chlorocytosine: Solid state simulation and tautomerism. Effect of the chlorine substitution in the Watson-Crick base pair 5-chlorodeoxycytidine-deoxyguanosine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 188. 418-435 doi:10.1016/j.saa.2017.07.018
Rastogi, V.K., Jain, Vaibhav, Alcolea Palafox, M., Singh, D.N., Yadav, R.A. (2001) Laser Raman and IR spectra and force fields for 2,4-dichlorobenzonitrile. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 57 (2) 209-216 doi:10.1016/s1386-1425(00)00327-9
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