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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| 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 |