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

*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

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Chemistry