SYSTEMATIC GENERATION OF MODELS FOR CRYSTALSTRUCTURESHans

نویسنده

  • Hans{joachim Klein
چکیده

A method is given for the systematic generation of graphs representing known or hypothetical polyhedral topologies of crystals. The method is complete for some interesting types of polyhedral topologies insofar as all topologies which are possible under reasonable assumptions concerning crystal properties are generated. Restriction modules can be coupled with the enumeration algorithm such that only graphs are obtained representing topologies with speciic properties. For tetrahedral topologies, a technique is described for the embedding of graphs into three{dimensional Euclidean space.

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تاریخ انتشار 1996