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Theoretical design of bis-azole derivatives for energetic compounds

Bis-azole derivatives are a new class of energetic materials with features that include high nitrogen content, high heat of formation (HOF), high detonation performance and insensitivity to external stimuli. In this paper, 599 new bis-azole compounds were designed in a high-throughput fashion using...

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Detalles Bibliográficos
Autores principales: Pu, Keyu, Wang, Linyuan, Liu, Jian, Zhong, Kai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9051427/
https://www.ncbi.nlm.nih.gov/pubmed/35492122
http://dx.doi.org/10.1039/d0ra00385a