Initial Mechanisms for the Unimolecular Thermal Decomposition of 2,6-Diamino-3,5-dinitropyrazine-1-oxide

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–NO2 bond homolysis, nitro&nda...

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Bibliographic Details
Main Authors: Nianshou Cheng, Qiang Gan, Qian Yu, Xuemei Zhang, Rong Li, Shichuan Qian, Changgen Feng
Format: Article
Language:English
Published: MDPI AG 2018-12-01
Series:Molecules
Subjects:
LLM-105
initial channels
thermal decomposition mechanism
quantum chemical calculations
Online Access:http://www.mdpi.com/1420-3049/24/1/125

Internet

http://www.mdpi.com/1420-3049/24/1/125

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