Proceedings of the Symposium on Chemoinformatics
42th Symposium on Chemoinformatics, Tokyo
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Oral Session (B)
Concordant Treatment of Various Skeletons having the Point Group Oh
*Shinsaku Fujita
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CONFERENCE PROCEEDINGS FREE ACCESS

Pages 1B06-

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Abstract
To differentiate between various Oh skeletons (octahedron, cube, cuboctahedron, truncated octahedron, and truncated hexahedron), the newly-developed combined-permutation representations are used under the GAP system, where their mark tables and USCI-CF tables are calculated. Because these tables are diferent from each other, they are standardized by using the newly-developed GAP functions to generate the standard mark table and the standard USCI-CF table. Thereby symmetry-itemized enumeration based on these Oh skeletons are conducted by applying Fujita's USCI approach (S. Fujita, Symmetry and Combinatorial Enumeration in Chemistry, Springer-Verlag, Berlin-Heidelberg, 1991).
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