PYRACYLENE REARRANGEMENT CLASSES OF FULLERENE ISOMERS

Authors
BABIC D TRINAJSTIC N
Citation
D. Babic et N. Trinajstic, PYRACYLENE REARRANGEMENT CLASSES OF FULLERENE ISOMERS, Computers & chemistry, 17(3), 1993, pp. 271-275
Citations number
27
Categorie Soggetti
Computer Application, Chemistry & Engineering","Computer Applications & Cybernetics",Chemistry
Journal title
Computers & chemistry → ACNP
ISSN journal
00978485
Volume
17
Issue
3
Year of publication
1993
Pages
271 - 275
Database
ISI
SICI code
0097-8485(1993)17:3<271:PRCOFI>2.0.ZU;2-6
Abstract
Isomers of C(n), n less-than-or-equal-to 70, were generated and classi fied according to their interconvertibility by the pyracylene rearrang ement. The algorithm used for generation of fullerene isomers represen ts an improvement of the spiral ring algorithm. Class cardinalities an d the resonance energies of the most stable representatives are tabula ted.