Applied Topological Analysis of Crystal Structures with the Program Package ToposPro
Vladislav A. Blatov,Vladislav A. Blatov,A. P. Shevchenko,Davide M. Proserpio,Davide M. Proserpio +4 more
TLDR
ToposPro as mentioned in this paper is a topological analysis of crystal structures realized in the current version of the program package ToposPro, which can be used to analyze various classes of chemical compounds including coordination polymers, molecular crystals, supramolecular ensembles, inorganic ionic compounds, intermetallics, fast-ion conductors, microporous materials.Abstract:
Basic concepts of computer topological analysis of crystal structures realized in the current version of the program package ToposPro are considered. Applications of the ToposPro methods to various classes of chemical compounds—coordination polymers, molecular crystals, supramolecular ensembles, inorganic ionic compounds, intermetallics, fast-ion conductors, microporous materials—are illustrated by many examples. It is shown that chemically and crystallographically different structures can be automatically treated in a similar way with the ToposPro approaches.read more
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References
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