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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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Lesson text (103KB)
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.
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.
Turn captions on or off
.
Lesson text (103KB)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.
