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Unimolecular Decomposition Reactions of Picric Acid and Its Methylated Derivatives—A DFT Study
[Image: see text] To handle energetic materials safely, it is important to have knowledge about their sensitivity. Density functional theory (DFT) has proven a valuable tool in the study of energetic materials, and in the current work, DFT is employed to study the thermal unimolecular decomposition...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9082609/ https://www.ncbi.nlm.nih.gov/pubmed/35472276 http://dx.doi.org/10.1021/acs.jpca.1c10770 |