Journal
CRYSTAL GROWTH & DESIGN
Volume 14, Issue 7, Pages 3576-3586Publisher
AMER CHEMICAL SOC
DOI: 10.1021/cg500498k
Keywords
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Funding
- Russian government [14.B25.31.0005]
- Russian Foundation for Basic Research [13-07-00001]
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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, supra-molecular 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.
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