Effect of an external electric field on the C?N cleavage reactions in nitromethane and triaminotrinitrobenzene
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DOI: 10.1016/j.comptc.2017.08.017
Abstract: Abstract Density functional theory calculations were performed to provide an explicit physical understanding on how an external electric field affects molecular reactivity by taking energetic molecules nitromethane and triaminotrinitrobenzene as examples. The activation energies of… read more here.
Keywords: nitromethane triaminotrinitrobenzene; external electric; field; effect ... See more keywords