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: Density functional tight-binding molecular dynamics was used to study the mechanisms and kinetics of initial pyrolysis and combustion reactions of isolated and multimolecular FOX-7. Based on the thermal cleavage of bridge bonds, the pyrolysis process of FOX-7 can be divided into three stages. However, the combustion process can be divided into five decomposition stages, which is much more complex than the pyrolysis reactions. The vibrations in the mean temperature contain nodes signifying thedoi:10.1139/cjc-2019-0141 fatcat:3evwyw3ctvbvxleifpeban2uni