PENTHEX PUZZLES - A RELIABLE AND EFFICIENT TOP-DOWN APPROACH TO FULLERENE-STRUCTURE ENUMERATION

Authors
BRINKMANN G DRESS AWM
Citation
G. Brinkmann et Awm. Dress, PENTHEX PUZZLES - A RELIABLE AND EFFICIENT TOP-DOWN APPROACH TO FULLERENE-STRUCTURE ENUMERATION, Advances in applied mathematics (Print), 21(3), 1998, pp. 473-480
Citations number
12
Categorie Soggetti
Mathematics,Mathematics
Journal title
Advances in applied mathematics (Print) → ACNP
ISSN journal
01968858
Volume
21
Issue
3
Year of publication
1998
Pages
473 - 480
Database
ISI
SICI code
0196-8858(1998)21:3<473:PP-ARA>2.0.ZU;2-S
Abstract
In this paper, we give a very efficient and completely reliable method to enumerate all combinatorial possibilities for fullerene structures . The method is based on a top-down divide and conquer approach and ca n easily be generalized also for other kinds of spherical structures. A computer program based on this approach was used to produce complete lists of fullerene structures with up to 162 atoms. (C) 1998 Academic Press.