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Extending the mean-field microkinetics for an accurate and efficient modeling of complex heterogeneous catalyst surfaces

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Zenodo2026-02-22 更新2026-05-29 收录
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资源简介:

This is the dataset for the following publication: Yaqing Wang, Tonghao Shen, Yuqi Yang, Xin Xu, "Extending the mean-field microkinetics for an accurate and efficient modeling of complex heterogeneous catalyst surfaces" It contains the following files: - POSCAR files for all DFT calculations.

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Zenodo
创建时间:
2026-02-22
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