Topologies

The topologies are the basic input for the Reverse Topological Approach, a method developed in the CMC group to predict MOF structures. Note at this point that the terms topology and net are used synonymously.

The topologies listed here are taken from the Reticular Chemistry Structure Resource (RCSR)

General Information

Herein the general terminology for topologies is introduced and the deconstruction of MOFs with larger linkers into topologies is discussed.
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Classification

Herein the Connectivity and Geometry classification methods are introduced. With the Connectivity classification data, connectivity patterns between vertices can be identified. The Geometry classification data helps to identify the shapes of the vertices belonging to each (embedded) topology. Noth can be used to preselect possible topologies to construct and predict hypothetical MOF structures.
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Search Methods

Herein the topology search methods are explained. There exist three search methods, the
i) Coordination based search
ii) Connectivity based search
iii) Vertex based search
(ii) and (iii) can be be further refined by the geometry classification data.
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