Crystallographic and spectroscopic studies as well as DFT quantum chemical calculations of hydrazo-bond conformation in 4,4′-dimethyl-3,3′,5,5′-tetranitro-2,2-hydrazobipyridine
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DOI: 10.1016/j.molstruc.2018.07.040
Abstract: Abstract The crystal and molecular structures of 4,4′-dimethyl-3,3′,5,5′-tetranitro-2,2′-hydrazobipyridine have been determined by X-ray diffraction studies and DFT quantum chemical calculations. The 6-311G (2d, 2p) basis set with the B3LYP functional has been used to discuss… read more here.
Keywords: dimethyl tetranitro; tetranitro hydrazobipyridine; quantum chemical; dft quantum ... See more keywords