Zeolite cycle sequences

G. Thimm, W.E. Klee
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引用次数: 9

Abstract

Cycle sequences are presented as topological invariants of zeolites. The sequences are calculated for 374 topologically inequivalent atoms in 105 zeolite frameworks. All sequences are found to be different. The first nonzero terms of the sequence indicate the length of the smallest rings, which occur in the given framework and show which of the atoms belong to these rings.

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沸石循环序列
旋回序列被表示为沸石的拓扑不变量。计算了105个分子筛框架中374个拓扑不相等原子的序列。所有的序列都是不同的。序列的第一个非零项表示在给定框架中出现的最小环的长度,并表示哪些原子属于这些环。
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Metal-organic Frameworks for Catalysis 19th International Zeolite Conference(IZC’19)参加報告 19th International Zeolite Conference(IZC’19)参加報告 実験化学,計算機化学,データサイエンスの融合による設計的ゼオライト合成 古典的なASFモデルを打破するジェット燃料直接合成用Co/Ymeso-La触媒
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