In this paper, a simple theoretical approach to counting of substitution isomers is described. It is based on Polya's theorem and on point groups as recently described by us [Baraldi, I.; Fiori, C.; Vanossi, D. J. Math. Chem. 1999, 25, 23-30] and extended in this paper. Several applications are developed that range from molecules without symmetry to molecules with icosahedral symmetry (Ih) The problem of the appearance of stereoisomers is also analyzed.
Regarding enumeration of molecular isomers / Baraldi, Ivan; Vanossi, Davide. - In: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES. - ISSN 0095-2338. - STAMPA. - 40:2(2000), pp. 386-398. [10.1021/ci990056g]
Regarding enumeration of molecular isomers
BARALDI, Ivan;VANOSSI, Davide
2000
Abstract
In this paper, a simple theoretical approach to counting of substitution isomers is described. It is based on Polya's theorem and on point groups as recently described by us [Baraldi, I.; Fiori, C.; Vanossi, D. J. Math. Chem. 1999, 25, 23-30] and extended in this paper. Several applications are developed that range from molecules without symmetry to molecules with icosahedral symmetry (Ih) The problem of the appearance of stereoisomers is also analyzed.
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