Theoretical investigation of the gas-phase reaction of NiO+ with ethane
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DOI: 10.1007/s11224-018-1238-6
Abstract: To explore the mechanisms for Ni-based oxide-catalyzed oxidative dehydrogenation (ODH) reactions, we investigate the reactions of C2H6 with NiO+ using density functional calculations. Two possible reaction pathways are identified, which lead to the formation of… read more here.
Keywords: phase reaction; investigation gas; reaction nio; theoretical investigation ... See more keywords