Thermal decomposition and fire-extinguishing mechanism of N(CF2CF3)(3) by ReaxFF-based molecular dynamics simulation and density functional theory calculation-MedSci.cn

Thermal decomposition and fire-extinguishing mechanism of N(CF2CF3)(3) by ReaxFF-based molecular dynamics simulation and density functional theory calculation

Tao, N; Cheng, Y; Xing, HR; Lo, SM; Lu, S; Zhang, HP

Lu, S; Zhang, HP (通讯作者)，Univ Sci Technol China, State Key Lab Fire Sci, Hefei 230026, Peoples R China.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2022; 122 (12):

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