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Tailoring Energetic Sensitivity and Classification through Regioisomerism.

Dominique R WozniakBenjamin SalferMatthias ZellerEdward F C ByrdDavin G Piercey
Published in: Organic letters (2020)
The azo-coupling of 1- and 2-amino-4-nitro-1,2,3-triazole yielded two new energetic compounds whose detonation properties compete with that of HMX. Though the calculated performances are impressive, the regioisomers have differing sensitivities and detonation behavior. One has sensitivities similar to a very sensitive primary explosive, while the other has sensitivities more comparable to a sensitive secondary explosive. This serves as an example of the ability to tailor the sensitivities and end use of energetic compounds via regioisomerization.
Keyphrases
  • machine learning
  • deep learning