ReaxFF MD simulations of thermolysis mechanism of 1,3,5-trinitrobenzene

Computational and Theoretical Chemistry 2026

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Authors: J. Zhang, Yuan-Qi Wang, Jian-Gang Chen, Yiding Ma, Yingzhe Liu, Kuan Wang, Yinglei Wang, Zhao-Tie Liu, Zhao-Tie Liu, Bozhou Wang, Zhong-Wen Liu, Zhong-Wen Liu
DOI: 10.1016/j.comptc.2026.115788
Cited by: 2
References: 39

Fields of Study & Subjects

Energetic Materials and Combustion Chemical Reaction Mechanisms Fullerene Chemistry and Applications

Publication details

Journal / source
Computational and Theoretical Chemistry
Publisher
Elsevier BV
Volume
1260
Pages
115788–115788
Publication date
26 March 2026
Language
EN