THE ENUMERATION OF HETEROFULLERENES

Authors
Citation
F. Zhang et al., THE ENUMERATION OF HETEROFULLERENES, Journal of molecular structure. Theochem, 453, 1998, pp. 1-6
Citations number
17
Categorie Soggetti
Chemistry Physical
ISSN journal
01661280
Volume
453
Year of publication
1998
Pages
1 - 6
Database
ISI
SICI code
0166-1280(1998)453:<1:TEOH>2.0.ZU;2-W
Abstract
This paper uses Polya's Theorem and the generalized character cycle in dex to count theoretically the number of possible positional isomers a nd chiral isomers of the heterofullerene, taking advantage of the symm etry of molecular graphs. A unified formula for specific patterns as w ell as one for general cases is presented. Furthermore, for a heterofu llerene, the enumeration of its equivalence classes under its automorp hism group is solved by Burnside's Lemma. (C) 1998 Elsevier Science B. V. All rights reserved.