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...

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Detalles Bibliográficos
Autores principales: Xiao, Yiwen, Chen, Lang, Yang, Kun, Geng, Deshen, Lu, Jianying, Wu, Junying
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
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

Internet

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

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