Comparative studies on structure, sensitivity and mechanical properties of CL-20/DNDAP cocrystal and composite by molecular dynamics simulation

Molecular dynamics simulation was performed on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20), 2,4-dinitro-2,4-diazapentane (DNDAP), and CL-20/DNDAP cocrystal and composite under COMPASS force field at different temperatures. The binding energy (E(bind)), radial distribution func...

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Detalles Bibliográficos
Autores principales: Duan, Binghui, Shu, Yuanjie, Liu, Ning, Lu, Yingying, Wang, Bozhou, Lu, Xianming, Zhang, Jiaoqiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9087360/
https://www.ncbi.nlm.nih.gov/pubmed/35548627
http://dx.doi.org/10.1039/c8ra07387b

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