Molecular design and theoretical assessment of high-energy tetrazole-nitropyrazole compounds: balancing performance and safety with tetracyclic framework.

CONTEXT: Inspired by tetracyclic nitropyrazole-based stable and potential energetic materials, we designed two new C-C and C-N-linked tetrazole-pyrazole-based energetic molecules, with acceptable detonation performance and moderate sensitivity. The h…

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