Data for Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties

Name: Data for Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties
Creator: Kreitz, Bjarne; Goldsmith, C. Franklin; Medford, Andrew J.; Lott, Patrick; Deutschmann, Olaf; Studt, Felix
Published: 2023-05-09T00:00:00+08:00

Zenodo2023-05-09 更新2026-04-07 收录

异相催化反应机理建模

微观动力学不确定性分析

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https://zenodo.org/record/7916528 数据链接链接失效反馈

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资源简介：

Data for the manuscript "Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties". The data set contains all the generated mechanisms, DFT data used for the construction of the RMG library, a backup of the RMG-database, all results and scripts for the evaluation of the results.

提供机构：

Kreitz, Bjarne; Goldsmith, C. Franklin; Medford, Andrew J.; Lott, Patrick; Deutschmann, Olaf; Studt, Felix

创建时间：

2023-05-09

Data for Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties

资源简介：

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