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Compression Behavior and Vibrational Properties of New Energetic Material LLM-105 Analyzed Using the Dispersion-Corrected Density Functional Theory

The 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) is a newly energetic material with an excellent performance and low sensitivity and has attracted considerable attention. On the basis of the dispersion-corrected density functional theory (DFT-D), the high-pressure responses of vibrational prope...

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Detalles Bibliográficos
Autores principales:	Li, Tianming, Fan, Junyu, Wang, Zhuoran, Qi, Hanhan, Su, Yan, Zhao, Jijun
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8625217/ https://www.ncbi.nlm.nih.gov/pubmed/34833923 http://dx.doi.org/10.3390/molecules26226831

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