Dissociation energies and rotational barriers about CC single, double, and triple bonds: A hybrid HF-DFT approach (Becke3LYP/6-311++G**)

被引：14

作者：

Alkorta, I ^{[1
]}

Elguero, J ^{[1
]}

机构：

[1] CSIC, Inst Quim Med, E-28006 Madrid, Spain

来源：

STRUCTURAL CHEMISTRY | 1998年 / 9卷 / 01期

关键词：

ab initio calculations; dissociation energies; rotational barriers;

D O I：

10.1023/A:1022439716203

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：59 / 63

页数：5

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