Characteristic monomials with chirality fittingness for combinatorial enumeration of isomers with chiral and achiral ligands
Citation
S. Fujita, Characteristic monomials with chirality fittingness for combinatorial enumeration of isomers with chiral and achiral ligands, J CHEM INF, 40(5), 2000, pp. 1101-1112
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
SICI code
0095-2338(200009/10)40:5<1101:CMWCFF>2.0.ZU;2-B
Abstract
A new method of combinatorial enumeration based on characteristic monomials
with chirality fittingness (CM-CFs) has been proposed in order to enumerat
e 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 i
n 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 table
s. Then the CM-CF method has been applied to the enumeration of isomers wit
h achiral ligands as well as chiral ones.