2022
DOI: 10.1002/poc.4469
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Assembling properties of 3,6‐dinitropyrazolo‐[4,3‐c]pyrazole‐based energetic compounds

Abstract: In pursuit of energetic materials with equal detonation properties and sensitivities compared to those of HMX and RDX, a series of 3,6-dinitropyrazolo-[4,3-c]pyrazole-based energetic compounds were designed, and density functional theory method was carried out to investigate the frontier molecular orbital, heats of formation, energetic properties, and impact sensitivities of the designed compounds. The results show that all the designed compounds possess high positive heats of formation range from 618.8 (A4) t… Show more

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