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Molecular design and properties of bridged energetic pyridines derivatives

A series of bridged pyridine-based energetic derivatives were designed and their geometrical structures, electronic structures, heats of formation, detonation properties, thermal stabilities, thermodynamic properties and electrostatic potential were fully investigated using density functional theory...

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Detalles Bibliográficos
Autores principales: Zhai, Diandian, Wang, Jinpeng, Hao, Lina, Ma, Congming, Ma, Peng, Pan, Yong, Jiang, Juncheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9075785/
https://www.ncbi.nlm.nih.gov/pubmed/35541780
http://dx.doi.org/10.1039/c9ra07087g