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MOF Building Unit Developer

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 22 Jul 2021Publisher:Zenodo
Authors: Halder, Prosun; ., Prerna; Singh, Jayant Kumar;

doi: 10.5281/zenodo.5121597 , 10.5281/zenodo.5559123 , 10.5281/zenodo.5559120 , 10.5281/zenodo.5559126 , 10.5281/zenodo.5121564 , 10.5281/zenodo.5121565

MOF Building Unit Developer

Abstract

Metal-organic framework (MOF) has relevance in extensive applications such as gas adsorption, separation, and energy storage. It constitutes metal nodes, organic linkers, and functional groups as its building units (BUs). Here, we present the MOF Building Unit Developer (mBUD) package that extracts the BUs from a given MOF structure. The code for this package is available on our site. Along with this, the web-version of mBUD has also been provided. We have employed mBUD to extract the BUs from the Computation-Ready, Experimental (CoRE) MOF 2019 database. The BUs database obtained from this analysis is provided for further utilization, such as application-specific MOF development.

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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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