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Density Functional Theory (DFT) Study on the Structures and Energetic Properties of Isomers of Tetranitro-bis-1,2,4-triazoles

[Image: see text] A series of isomers of tetranitro-bis-1,2,4-triazoles were designed, and their electronic structures, heats of formation, densities, detonation performances, thermal stabilities, and impact sensitivities were investigated by density functional theory (DFT). The structure and energe...

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Detalles Bibliográficos
Autores principales:	Bao, Fang, Li, Yi, Liu, Wei, She, Chongchong, Chen, Kun, Li, Lijie, Jin, Shaohua
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7424576/ https://www.ncbi.nlm.nih.gov/pubmed/32803040 http://dx.doi.org/10.1021/acsomega.0c01544

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