Abstract:The search for coplanar high‐energy insensitive explosives is a new direction in the research of energetic materials. A series of coplanar compounds based on the [1,2,4]triazolo[4,3‐b][1,2,4]triazine skeleton (ATTZ) were designed and studied using density functional theory. The research content includes density, detonation performance, shock sensitivity, bond‐dissociation energy, thermodynamic properties, and electrostatic potential. The formation of intramolecular hydrogen bonds between the energetic groups c… Show more
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