Special methods of simplification 

This lesson describes the cluster, skeleton, edge net and ring net simplifications methods.

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List of papers

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, 3947–3958. doi:10.1039/C0CE00636J

Blatov V. A. A method for topological analysis of rod packings. Structural Chemistry, 2016, 27 (6), 1605–1611. doi:10.1007/s11224-016-0774-1

Blatov V.A., Carlucci L., Ciani G., Proserpio D. M. Interpenetrating metal-organic and inorganic 3D networks: a computer-aided systematic investigation. Part I. Analysis of the Cambridge Structural Database. CrystEngComm. 2004, 6, 377–395. doi:10.1039/B409722J

Alexandrov E.V., Blatov V.A., Proserpio D.M. A topological method for classification of entanglements in crystal networks. Acta Crystallographica Section A, 2012, 68, 484–493. doi: 10.1107/S0108767312019034

Alexandrov E.V., Blatov V.A., Proserpio D.M. How 2-periodic coordination networks are interweaved: entanglement isomerism and polymorphism. CrystEngComm, 2017, 19, 1993–2006. doi:10.1039/C7CE00313G

Carlucci L., Ciani G., Proserpio D. M., Mitina T.G., Blatov V.A. Entangled 2D Coordination Networks: A General Survey. Chemical Reviews, 2014, 114 (15), 7557–7580. doi: 10.1021/cr500150m

Tags: ToposPro, ADS, Underlying net, Simplification, Cluster, Skeleton, Edge, Ring, Hopf ring, Interpenetration, Entanglement, Catenation, Classification, Topology.

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