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Updated: Feb 26, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Insights into the electron-donating and withdrawing effect of the functional groups on mechanochemical

Fang Guo1, Zhen Wang1, Jin-Jing Zhang1

  • 1College of Chemistry, Liaoning University, Shenyang 110036, China. fguo@lnu.edu.cn.

Dalton Transactions (Cambridge, England : 2003)
|July 14, 2017
PubMed

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