Numerical generation of nanotube caps II. Exact results up to (10,10)

被引：14

作者：

Astakhova, TY

Vinogradov, GA

Osawa, E

机构：

[1] Inst Biochem Phys, Moscow 117334, Russia

[2] Toyohashi Univ Technol, Dept Knowledge Based Informat Engn, Toyohashi, Aichi 4418580, Japan

来源：

FULLERENE SCIENCE AND TECHNOLOGY | 1999年 / 7卷 / 05期

关键词：

D O I：

10.1080/10641229909351377

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：

The numerical algorithm for cap generation [1] is further developed. The cap unfolding method proposed in ref. [2] is used. Some aspects of the cap unfolding onto the honeycomb lattice [3] are also considered. Topological invariants of the cap structures are used to eliminate the duplicate structures. The list of all distinct IPR (5, 5) - (10, 10) caps structures is generated.

引用

页码：769 / 779

页数：11

共 20 条

[1] Surface reconstructions and dimensional changes in single-walled carbon nanotubes
Ajayan, PM
Ravikumar, V
Charlier, JC
[J]. PHYSICAL REVIEW LETTERS, 1998, 81 (07) : 1437 - 1440
[2] Numerical generation of nanotube caps
Astakhova, TY
Buzulukova, NY
Vinogradov, GA
Osawa, E
[J]. FULLERENE SCIENCE AND TECHNOLOGY, 1999, 7 (02): : 223 - 237
[3] New isomerization mechanisms for fullerenes
Astakhova, TY
Vinogradov, GA
[J]. FULLERENE SCIENCE AND TECHNOLOGY, 1998, 6 (06): : 1037 - 1055
[4] GRAPH INVARIANTS FOR FULLERENES
BALABAN, AT
LIU, X
KLEIN, DJ
BABIC, D
SCHMALZ, TG
SEITZ, WA
RANDIC, M
[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1995, 35 (03): : 396 - 404
[5] Theory of growth and mechanical properties of nanotubes
Bernholc, J
Brabec, C
Nardelli, MB
Maiti, A
Roland, C
Yakobson, BI
[J]. APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 1998, 67 (01): : 39 - 46
[6] C2 fragmentation energy of C60 revisited:: theory disagrees with most experiments
Boese, AD
Scuseria, GE
[J]. CHEMICAL PHYSICS LETTERS, 1998, 294 (1-3) : 233 - 236
[7] PentHex puzzles - A reliable and efficient top-down approach to fullerene-structure enumeration
Brinkmann, G
Dress, AWM
[J]. ADVANCES IN APPLIED MATHEMATICS, 1998, 21 (03) : 473 - 480
[8] A constructive enumeration of fullerenes
Brinkmann, G
Dress, AWM
[J]. JOURNAL OF ALGORITHMS, 1997, 23 (02) : 345 - 358
[9] Brinkmann G., COMMUNICATION
[10] Dresselhaus M. S., 1996, SCI FULLERENES CARBO

← 1 2 →