How the nature of the promoter -Ga vs. Zn- shapes copper-based CO2 hydrogenation catalyst structures evaluated via metadynamics
收藏Zenodo2026-02-18 更新2026-05-26 收录
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https://zenodo.org/doi/10.5281/zenodo.18679312
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资源简介：
Dataset from our paper "How the nature of the promoter -Ga vs. Zn- shapes copper-based CO2 hydrogenation catalyst structures evaluated via metadynamics". They correspond to the textual output CP2K files of the type: file-pos.xyz, file-vel.xyz, frc.xyz. All are raw data and human-readable.
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Zenodo
创建时间：
2026-02-18
