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 compoundscoordination polymers, molecular crystals, supramolecular ensembles, inorganic ionic compounds, intermetallics, fast-ion conductors, microporous materialsare 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.
Applied Topological Analysis of Crystal Structures with the Program Package ToposPro / V.A. Blatov, A.P. Shevchenko, D.M. Proserpio. - In: CRYSTAL GROWTH & DESIGN. - ISSN 1528-7483. - 14:7(2014), pp. 3576-3586. [10.1021/cg500498k]
Applied Topological Analysis of Crystal Structures with the Program Package ToposPro
D.M. ProserpioUltimo
2014
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 compoundscoordination polymers, molecular crystals, supramolecular ensembles, inorganic ionic compounds, intermetallics, fast-ion conductors, microporous materialsare 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.File | Dimensione | Formato | |
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