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First-Principles-Based Force Field for 2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105)

[Image: see text] 2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105) is a highly promising energetic material (EM) with high safety. Understanding its microscopic response mechanisms within the external stimulus is meaningful for the design of EMs. In order to comprehend the complicated phenomena, it...

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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Wang, Xian, Zeng, Qun, Li, Jinshan, Yang, Mingli
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2019
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6921264/
https://ncbi.nlm.nih.gov/pubmed/31867497
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b02410
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