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Atomic insights into the thermal runaway process of hydrogen peroxide and 1,3,5-trimethybenzene mixture: Combining ReaxFF MD and DFT methods 期刊论文
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2021, 卷号: 147, 页码: 578-588
Authors:  Qian, Yanan;  Xu, Wei;  Zhan, Jin-Hui;  Jia, Xuewu;  Zhang, Fan
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Hydrogen Peroxide  Organics  Reaxff Md  Dft Calculation  Thermal Runaway