Independence number and fullerene stability

被引：14

作者：

Fowler, P. W. ^{[1
]}

Daugherty, S.

Myrvold, W.

机构：

[1] Univ Sheffield, Dept Chem, Sheffield S3 7HF, S Yorkshire, England

[2] Univ Victoria, Dept Comp Sci, Victoria, BC V8W 3P6, Canada

来源：

CHEMICAL PHYSICS LETTERS | 2007年 / 448卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2007.09.054

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

An independent set of a graph G is a set of vertices of G that are pairwise non-adjacent. The independence number, alpha(G), is the order of a maximum independent set of G. A survey of independence numbers is presented for the set of over 10 million fullerene isomers from 20 to 120 carbon atoms and comparisons are made with the pentagon adjacency count, as a measure of thermodynamic stability. Contrary to a literature proposal, stability and minimal independence number of fullerenes are poorly correlated. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：75 / 82

页数：8

共 28 条

[1] Pentagon adjacency as a determinant of fullerene stability [J].

Albertazzi, E ;

Domene, C ;

Fowler, PW ;

Heine, T ;

Seifert, G ;

Van Alsenoy, C ;

Zerbetto, F .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1999, 1 (12) :2913-2918

[2]

AUSTIN SJ, 1995, THESIS U EXETER

[3] PentHex puzzles - A reliable and efficient top-down approach to fullerene-structure enumeration [J].

Brinkmann, G ;

Dress, AWM .

ADVANCES IN APPLIED MATHEMATICS, 1998, 21 (03) :473-480

[4] A constructive enumeration of fullerenes [J].

Brinkmann, G ;

Dress, AWM .

JOURNAL OF ALGORITHMS, 1997, 23 (02) :345-358

[5]

Brinkmann G, 2007, MATCH-COMMUN MATH CO, V58, P323

[6] On colouring the nodes of a network [J].

Brooks, RL .

PROCEEDINGS OF THE CAMBRIDGE PHILOSOPHICAL SOCIETY, 1941, 37 :194-197

[7] Increasing cost of pentagon adjacency for larger fullerenes [J].

Campbell, EEB ;

Fowler, PW ;

Mitchell, D ;

Zerbetto, F .

CHEMICAL PHYSICS LETTERS, 1996, 250 (5-6) :544-548

[8]

Coxeter H., 1971, SPECTRUM MATH, P98

[9]

COXTER HSM, 1971, SPECTRUM MATH, P98

[10] Maximal non-adjacent addition to fullerene-70:: Computation of all the closed shell isomers of C70X26 [J].

Crane, JD .

FULLERENE SCIENCE AND TECHNOLOGY, 1999, 7 (03) :427-435

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