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Motivated by the enriched topologies from the newly discovered nano-scaled molecular clusters, custom carved-ellipsoid models are built and their scattering functions are explored. The scattering functions of these models are derived in ellipsoidal coordinates. The theoretical scattering curves of these models can be further obtained through numerical calculation. These models have been successfully applied to the fitting of experimental scattering curves of some so-called wheel-shaped metal oxide molecular clusters.

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Portable Document Format (PDF) file https://doi.org/10.1107/S1600576718016771/aj5311sup1.pdf
Detailed description of searching methods and the applications of our models to another two cluster systems


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