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Design of functionalized bridged 1,2,4-triazole N-oxides as high energy density materials and their comprehensive correlations
The demand for high energy density materials (HEDMs) remains a major challenge. Density functional theory (DFT) methods were employed to design a new family of bridged 1,2,4-triazole N-oxides by the manipulation of the linkage and oxygen-containing groups. The optimized geometry, electronic properti...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9037789/ https://www.ncbi.nlm.nih.gov/pubmed/35480652 http://dx.doi.org/10.1039/d1ra05344b |