GENERALIZED STONE-WALES TRANSFORMATIONS

Citation
D. Babic et al., GENERALIZED STONE-WALES TRANSFORMATIONS, Molecular simulation, 14(6), 1995, pp. 395-401
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
08927022
Volume
14
Issue
6
Year of publication
1995
Pages
395 - 401
Database
ISI
SICI code
0892-7022(1995)14:6<395:GST>2.0.ZU;2-Y
Abstract
We introduce a large class of transformations allowing rearrangements of the fullerene surface. We call this set of rearrangements generaliz ed Stone-Wales transformations (gSW) because the well-known Stone-Wale s (or pyracylene) flip may be seen as the simplest representative of t he novel gSW family. The interconversion between the two C-28 fulleren e isomers is presented as a simple example of gSW application. Further examples involving the complete generation of C-60 and C-70 isomer sp aces are provided. In both cases, just one fullerene molecule is used as seed data. Some considerations on gSW energetics are also reported.