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Exploration of High‐Energy‐Density Materials: Computational Insight into Energetic Derivatives Based on 1,2,4,5‐Tetrahydro‐1,2,4,5‐tetrazine

Density functional theory was employed to investigate ten 1,2,4,5‐tetrahydro‐1,2,4,5‐tetrazine‐based energetic materials. The heats of formation and detonation properties were calculated by isodesmic reactions and Kamlet–Jacobs equations. The thermal stabilities and impact sensitivities were also es...

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Detalles Bibliográficos
Autores principales:	Jin, Xinghui, Zhou, Jianhua, Hu, Bingcheng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2018
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6173373/ https://www.ncbi.nlm.nih.gov/pubmed/30338203 http://dx.doi.org/10.1002/open.201800161

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