MOFChecker: An algorithm for Validating and Correcting Metal-Organic Framework (MOF) Structures
收藏NIAID Data Ecosystem2026-05-02 收录
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https://zenodo.org/record/14844661
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资源简介：
This dataset includes the checking results of several MOF database using MOFChecker. We also provide some fixed MOF structures using MOFChecker. In addition, we provide the DFT optimized structures of some DAC MOF and the CO2 & H2O binding energy of them.
创建时间：
2025-03-04
