APPLICATION OF RESONANCE THEORY TO C60H AND C60H2

被引：10

作者：

CLAXTON, TA

GRAHAM, J

机构：

[1] Department of Chemistry, University of Leicester

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 18期

关键词：

D O I：

10.1021/j100120a012

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：

Results from ab initio STO-3G calculations on C60 and C60H are presented and compared with recent MNDO-PM3 calculations. These results, and those from recent MNDO-PM3 calculations on C60H2, are interpreted using resonance theory.

引用

页码：4621 / 4623

页数：3

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