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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

A "Precise" Future for Chemistry: Engineering Electron Quantum States for Precision Catalysis

Jingnan Wang1, Lixin Xu2, Zhijian Li3

  • 1Institute of Molecular Engineering Plus, College of Chemistry, Fuzhou University, Fuzhou350108, P. R. China.

ACS Nano
|August 31, 2026
PubMed

Keywords:
dual-atom catalystorbital catalysisprecision chemistryspin catalysis

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