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...

Descripción completa

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

Internet

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

Ejemplares similares