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...

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Detalles Bibliográficos
Autores principales: Wiik, Kristine, Høyvik, Ida-Marie, Unneberg, Erik, Jensen, Tomas Lunde, Swang, Ole
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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

Internet

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

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