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Combination High Energy with Stability: Polynitrogen Explosives N14 and N18
[post]
2018
unpublished
Novel high energy density materials N14 (1,6-dihydro-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecazapyrene) and N18 (1,2,2a,3,4,4a,5,6,6a,7,8,8a,9,10,10a,11,12a-octadecazacoronene) were designed, and their structures, detonation performance and stabilities were calculated employing density functional theory (DFT). Calculations reveals that they have a good balance between high energy and stability. Their energy gaps between LUMO and HOMO are all lower than that of TATB, while their impact
doi:10.20944/preprints201807.0221.v1
fatcat:6hv5kixbsjc7feao6cgd4c6ray