A Transferable Model for Adsorption in MOFs with Unsaturated Metal Sites- DFT
收藏DataCite Commons2020-09-18 更新2025-04-17 收录
下载链接：
https://pure.strath.ac.uk/portal/en/datasets/a-transferable-model-for-adsorption-in-mofs-with-unsaturated-metal-sites-dft(16b6418d-d728-4636-bb28-9d1d0fe42e63).html
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资源简介：
This dataset contains Density Functional Theory (DFT) calculations used in the related publication. The software used was CP2K, this dataset contains calculations for several Metal Organic Frameworks (MOFs). For further information on what this dataset contains see attached read_me file.
提供机构：
University of Strathclyde
创建时间：
2016-12-01
