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Exploring the Thermal Decomposition Mechanism of Nitromethane Via a Neural Network Potential

Meiheng Lv,Yifan Zhang,Runze Liu,Yinhua Ma,Li Liu,Wenze Li,Huaxin Liu,Jianyong Liu

MATERIALS TODAY COMMUNICATIONS（2024）

Cited 1|Views3
Key words
Molecular dynamics,Decomposition mechanism,Neural network potential,Nitromethane
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