HUCKEL TREATMENT OF CARBON SPECIES WITH ICOSAHEDRAL SYMMETRY

被引：29

作者：

TANG, AC ^{[1
]}

HUANG, FQ ^{[1
]}

LI, QS ^{[1
]}

LIU, RZ ^{[1
]}

机构：

[1] BEIJING NORMAL UNIV,DEPT CHEM,BEIJING 100875,PEOPLES R CHINA

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 227卷 / 06期

关键词：

D O I：

10.1016/0009-2614(94)00877-9

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：

A new method which is based on the use of the 'patch' concept and the matrices of non-equivalent irreducible representations has been proposed for the Huckel treatment of the fullerenes with I(h) symmetry. This method has been used to calculate the eigenvalues of C240, C540, C960, C1500, C2160 and C2940, and the calculated results indicate that all these fullerenes should be stable.

引用

页码：579 / 587

页数：9

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