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Characteristic monomials with chirality fittingness for combinatorial enumeration of isomers with chiral and achiral
1Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Japan.
Journal of Chemical Information and Computer Sciences
|October 25, 2000
Abstract:
A new method of combinatorial enumeration based on characteristic monomials with chirality fittingness (CM-CFs) has been proposed in order to enumerate isomers with chiral ligands as well as with achiral ones. The CM-CFs have been defined as monomials that consist of three kinds of dummy variables in light of the subduction of the Q-conjugacy representations for chiral and achiral cyclic groups. A procedure of calculating CM-CFs for cyclic groups and finite groups has been discribed so as to tabulate them as CM-CF tables. Then the CM-CF method has been applied to the enumeration of isomers with achiral ligands as well as chiral ones.