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Updated: Jan 15, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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解釈可能な機械学習によって発見された金属酸化物界面における逆水・ガスシフト反応の性質

Li Feng1, Jian-Wen Zhao1, Wan-Yao Wei1

  • 1State Key Laboratory of Precision and Intelligent Chemistry, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, Anhui 230026, China.

Journal of the American Chemical Society
|January 13, 2026
PubMed
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No abstract available in PubMed .

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