| Abstrakt: |
We present a brief survey of rigorous algorithms for simplification of crystal structures, which are implemented into the program package ToposPro. The universality of the algorithms is illustrated by many examples from different classes of chemical compounds: intermetallics, ionic inorganic compounds, microporous frameworks, coordination polymers, and molecular crystals. We outline a number of tasks of crystal chemistry and design, which can be solved with the considered approaches. [ABSTRACT FROM AUTHOR] |
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