TopCryst Service 

This lesson is devoted to our new project TopCryst. TopCryst includes several services that allow you to determine the topology of a compound and to find the representatives of a topological type.

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List of papers

Blatov V. A., Shevchenko A.P., Proserpio D.M. Applied topological analysis of crystal structures with the program package ToposPro. Crystal Growth & Design, 2014, 14 (7), 3576–3586. doi:10.1021/cg500498k

Alexandrov E.V., Blatov V.A., Kochetkov A.V., Proserpio D.M. Underlying nets in three-periodic coordination polymers: topology, taxonomy and prediction from a computer-aided analysis of the Cambridge Structural Database. CrystEngComm, 2011, 13 (12), 3947–3958. doi:10.1039/C0CE00636J

Aman F., Asiri A.M., Siddiqui W.A., Arshad M.N., Ashraf A., Zakharov N.S., Blatov V.A. Multilevel topological description of molecular packings in 1,2-benzothiazines. CrystEngComm, 2014, 16 (10), 1963–1970. doi:10.1039/C3CE42218F

Bonneau С., O'Keeffe M., Proserpio D.M., Blatov V.A., Batten S.R., Bourne S.A., Lah M.S., Eon J.-G., Hyde S.T., Wiggin S.B., and Öhrström L. Deconstruction of Crystalline Networks into Underlying Nets: Relevance for Terminology Guidelines and Crystallographic Databases. Crystal Growth & Design, 2018, 18 (6), 3411–3418. doi:10.1021/acs.cgd.8b00126

Tags: TopCryst, Topology, Topological databases, Topological collections, Topological classification, Net topology, Periodic net, ToposPro.

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