C6H3N3O6-1

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1,3,5-trinitrobenzene

Experimental GED (+IR+Raman) re structure [KhaikinJSC2015]Author: Khaikin, Leonid S.; Kochikov, Igor V.; Grikina, Olga E.; Tikhonov, Denis S.; Baskir, Esfir G.
Journal: Structural Chemistry
Pages: 1651-1687
Title: IR spectra of nitrobenzene and nitrobenzene-15N in the gas phase, ab initio analysis of vibrational spectra and reliable force fields of nitrobenzene and 1,3,5-trinitrobenzene. Investigation of equilibrium geometry and internal rotation in these simplest aromatic nitro compounds with one and three rotors by means of electron diffraction, spectroscopic, and quantum chemistry data
Url: http://dx.doi.org/10.1007/s11224-015-0613-9
Volume: 26
Year: 2015
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