Replication Data for: Reversible Triply Interlocked Main-Group Cages Al6L4 an...
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This dataset contains all the data from computational calculations regarding structure analysis of the main-group cages described in the main paper. It consists of DFT...
本数据集涵盖主论文中所述主族笼状结构分析相关的全部计算数据，其数据包含密度泛函理论（Density Functional Theory，DFT）……
