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Capturing Coordination Core Topology in Metal--Organic Frameworks Using Persistent Mayer Homology

Khaemba, Caleb Simiyu et al.
arXiv (All) · Papers
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materials-science
Local coordination cores are critically important in metal-organic frameworks (MOFs) and polyoxometalates (POMs), as they govern the fundamental chemical and structural properties of these materials. Existing methods, including element-resolved persistent homology (ERPH), have limited ability to tra
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