First-principles calculations of the electronic, vibrational, and thermodynamic properties of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)

Wen Shuo Yuan, Yun Dan Gan, Cheng Lu Jiang, Sheng Hai Zhu, Ming Jian Zhang, Fu Sheng Liu, Bin Tang, Dan Hong, Qi Jun Liu

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