GENERALIZED STONE-WALES TRANSFORMATIONS

被引：27

作者：

BABIC, D

BASSOLI, S

CASARTELLI, M

CATALDO, F

GRAOVAC, A

ORI, O

YORK, B

机构：

[1] CISM,DIPARTIMENTO FIS,I-43100 PARMA,ITALY

[2] CISM,IST NAZL FIS NUCL,I-43100 PARMA,ITALY

[3] PROGEGA SNC,I-00128 ROME,ITALY

[4] THINKING MACHINES CORP,CAMBRIDGE,MA 02142

[5] NORTHEASTERN UNIV,COLL COMP SCI,BOSTON,MA 02115

来源：

MOLECULAR SIMULATION | 1995年 / 14卷 / 06期

基金：

美国国家航空航天局;

关键词：

GENERALIZED STONE-WALES TRANSFORMATIONS; FULLERENES;

D O I：

10.1080/08927029508022032

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：

We introduce a large class of transformations allowing rearrangements of the fullerene surface. We call this set of rearrangements generalized Stone-Wales transformations (gSW) because the well-known Stone-Wales (or pyracylene) flip may be seen as the simplest representative of the novel gSW family. The interconversion between the two C-28 fullerene isomers is presented as a simple example of gSW application. Further examples involving the complete generation of C-60 and C-70 isomer spaces are provided. In both cases, just one fullerene molecule is used as seed data. Some considerations on gSW energetics are also reported.

引用

页码：395 / 401

页数：7

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