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Initial Mechanisms for the Unimolecular Thermal Decomposition of 2,6-Diamino-3,5-dinitropyrazine-1-oxide
The initial channels of thermal decomposition mechanism of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) molecule were investigated. The results of quantum chemical calculations revealed four candidates involved in the reaction pathway, including the C–NO(2) bond homolysis, nitro–nitrite rearran...
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| Publicado no: | Molecules |
|---|---|
| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6337266/ https://ncbi.nlm.nih.gov/pubmed/30602673 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24010125 |
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