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Reactive molecular dynamics simulations on thermal decomposition of 3-methyl-2,6-dinitrophenol

Jiaxiang Zhao1, Yun Xiao2, Jiayuan He1

  • 1School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China.

Journal of Molecular Modeling
|January 26, 2022
PubMed

Keywords:
3-Methyl-2,6-dinitrophenolReaxFF- force fieldThermal decomposition mechanism

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