The Thermochemistry and Initial Decomposition Pathways of Triazole Energetic Materials

Meiheng Lu,Panwang Zhou,Yanqiang Yang,Jianyong Liu,Bing Jin,Ke-Li Han

The Thermochemistry and Initial Decomposition Pathways of Triazole Energetic Materials

2020

Meiheng Lu
Panwang Zhou
Yanqiang Yang
Jianyong Liu
Bing Jin
Ke-Li Han

A thorough investigation on the initial decomposition pathways of triazoles and their nitro-substituted derivatives has been conducted using MP2 method for optimization and DLPNO-CCSD(T) method for...

Keywords:

Decomposition
Triazole
Chemistry
Computational chemistry
Thermochemistry

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