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Molecular Dynamics Simulation of Ozonation of p-Nitrophenol at Room Temperature with ReaxFF Force Field 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2017, 卷号: 33, 期号: 7, 页码: 1399-1410
Authors:  Wang Zi-Min;  Zheng Mo;  Xie Yong-Bing;  Li Xiao-Xia;  Zeng Ming;  Cao Hong-Bin;  Guo Li
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P-nitrophenol  Ozonation  Reaxff Md  Radical Behavior  Reaction Mechanism