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Mechanism of the improvement of the energy of host–guest explosives by incorporation of small guest molecules: HNO(3) and H(2)O(2) promoted C–N bond cleavage of the ring of ICM-102
Host–guest materials exhibit great potential applications as an insensitive high-energy–density explosive and low characteristic signal solid propellant. To investigate the mechanism of the improvement of the energy of host–guest explosives by guest molecules, ReaxFF-lg reactive molecular dynamics s...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8131615/ https://www.ncbi.nlm.nih.gov/pubmed/34006908 http://dx.doi.org/10.1038/s41598-021-89939-1 |