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Updated: Nov 17, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Insight into the Selective Methylene Oxidation Catalyzed by Mn(CF3-PDP)(SbF6)2/H2O2/CH2ClCO2H) System: A DFT

Ruihua Zhao1, Xiang-Yu Chen1, Zhi-Xiang Wang1

  • 1School of Chemical Sciences, University of the Chinese Academy of Sciences, Beijing 100049, China.

Organic Letters
|February 15, 2021
PubMed

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