Theoretical investigations on a novel CL-20/LLM-105 cocrystal explosive by molecular dynamics method

The hexanitrohexaazaisowurtzitane/2,6-diamino-3,5-dinitropyrazine-1-oxide (CL-20/LLM-105) cocrystal models with different component ratios were established by the substitution method. The stability, sensitivity, energetic performance, and mechanical properties of CL-20, LLM-105, and CL-20/LLM-105 co...

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