Corannulene-based fullerene fragments C20H10-C50H10: when does a buckybowl become a buckytube?

被引：69

作者：

Baldridge, KK ^{[1
]}

Siegel, JS ^{[1
]}

机构：

[1] UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093

来源：

THEORETICAL CHEMISTRY ACCOUNTS | 1997年 / 97卷 / 1-4期

关键词：

fullerene fragments; ab initio; density functional; corannulene; bucky tube;

D O I：

10.1007/s002140050238

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 ab initio study of the structural and physical properties of fullerene fragments based on corannulene shows a distinct defining point between bowl and tube-like character.

引用

页码：67 / 71

页数：5

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