Jing-Hang Zhang

Shaanxi Normal University

Chang'an Chang'an District

199 South Road

Xi'an, OH 710062

China

  • Shaanxi Normal University

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Reaxff Md Simulations of Thermolysis Mechanism of 1,3,5-Trinitrobenzene

Number of pages: 34 Posted: 02 Nov 2024
Jing-Hang Zhang, Yuan-Qi Wang, Jian-Gang Chen, Yiding Ma, Yingzhe Liu, Kuan Wang, Yinglei Wang, Zhaotie Liu, Bozhou Wang and Zhongwen Liu
Shaanxi Normal University, Shaanxi Normal University, Shaanxi Normal University, affiliation not provided to SSRN, affiliation not provided to SSRN, Shaanxi University of Science and Technology, affiliation not provided to SSRN, Shaanxi Normal University, Xi’an Modern Chemistry Research Institute and Shaanxi Normal University
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Abstract:

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ReaxFF/lg, TNB, thermolysis, reaction molecular dynamics, mechanism