Unveiling the corrosion mechanism of 3-nitro-1,2,4-triazol-5-one (NTO) toward mild steel from ab initio molecular dynamics: how the “nitro-to-amino” reaction matters

Ziyang Guo, Liyuan Qin, Shuai Zhao*, Deqiu Wang, Xijuan Lv, Yujie Qiang, Wei Guo*, Qinghai Shu*, Y. Yao

*此作品的通讯作者

科研成果: 期刊稿件 › 文章 › 同行评审

3 引用 （Scopus）

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Chemistry