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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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Detalles Bibliográficos
Autores principales: Wang, Xian, Zeng, Qun, Li, Jinshan, Yang, Mingli
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6921264/
https://www.ncbi.nlm.nih.gov/pubmed/31867497
http://dx.doi.org/10.1021/acsomega.9b02410