Metal-organic frameworks (MOFs) are a type of porous crystalline material that has received increasing attention in gas separation, storage, and catalysis research. They are formed by linking inorganic metal ions or clusters with organic ligands through coordination bonds, resulting in high-porosity 3D crystal structures. They are known for their easily adjustable structures - the metal, organic linker, relevant functional groups, or metal-ligand bonds can be modified to tailor their inherent struts for various applications. However, from a theoretical perspective, the infinite combination between metal ions and organic ligands makes it difficult to rapidly screen for MOFs with desired properties

将以下内容翻译成英文金属有机框架MOF是一类多孔晶体材料在气体分离、储存和催化等方面得到了越来越多的研究。它们由无机金属离子或团簇通过配位键与有机配体连接而成整体形成高孔隙的三维晶体结构。以其易于调整的结构而闻名——可以对金属、有机连接剂、相关官能团或金属-配体键进行修改以定制其内在的支柱来适应各种应用。然而从理论角度来看金属离子和有机配体之间的无限组合使得快速筛选具有期望性能的MOF变得困难。

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