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Herein, synthesizable candidate topologies to form zeolitic imidazolate frameworks (ZIFs) are efficiently identified from over 2 000 000 hypothetical structures in zeolite databases, using structural descriptors extracted from known ZIFs. A combination of intuition‐based structural descriptors, such as ring patterns, node numbers, and TOT bridging angles (T = tetrahedral metal nodes in zeolites...
Hidden Zeolitic Imidazolate Frameworks
In article number 2300036, David ChangMo Yang, Wonyoung Choe, and co‐workers propose a library of 207 future zeolitic imidazolate frameworks (ZIFs) from over 2,000,000 zeolites guided by intuition‐based geometrical descriptors. Carefully chosen structural descriptors facilitate the prediction of new ZIFs. The collection of plausible ZIFs serves as a blueprint...
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