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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2018
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| Materias: | |
| 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 |