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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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Detalles Bibliográficos
Autores principales: Cheng, Nianshou, Gan, Qiang, Yu, Qian, Zhang, Xuemei, Li, Rong, Qian, Shichuan, Feng, Changgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6337266/
https://www.ncbi.nlm.nih.gov/pubmed/30602673
http://dx.doi.org/10.3390/molecules24010125