Shevchenko Alexander P, Alexandrov Eugeny V, Golov Andrey A, Blatova Olga A, Duyunova Alexandra S, Blatov Vladislav A
Samara Center for Theoretical Materials Science (SCTMS), Samara University, Ac. Pavlov St. 1, 443011 Samara, Russian Federation.
Chem Commun (Camb). 2020 Aug 28;56(67):9616-9619. doi: 10.1039/d0cc04004e. Epub 2020 Jul 23.
We present the results of a comprehensive geometrical and topological analysis of 3D coordination networks in 33 790 coordination polymers. We have found relations between topological descriptors and free space of the networks, and have revealed topological types that promote high porosity of metal-organic frameworks.
我们展示了对33790种配位聚合物中三维配位网络进行全面几何和拓扑分析的结果。我们发现了拓扑描述符与网络自由空间之间的关系，并揭示了促进金属有机骨架高孔隙率的拓扑类型。
