Charge Distributions of Nitro Groups Within Organic Explosive Crystals: Effects on Sensitivity and Modeling

[Image: see text] The charge distribution of NO(2) groups within the crystalline polymorphs of energetic materials strongly affects their explosive properties. We use the recently introduced basis-space iterated stockholder atom partitioning of high-quality charge distributions to examine the approx...

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Detalles Bibliográficos
Autores principales: Aina, Alexander A., Misquitta, Alston J., Phipps, Maximillian J. S., Price, Sarah L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648017/
https://www.ncbi.nlm.nih.gov/pubmed/31459950
http://dx.doi.org/10.1021/acsomega.9b00648

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648017/
https://www.ncbi.nlm.nih.gov/pubmed/31459950
http://dx.doi.org/10.1021/acsomega.9b00648

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