An ab Initio study of conformational properties of (Z,Z)-, (E,Z)- and (E,E)-cycloocta-1,5-diene

被引：0

作者：

I. Yavari

H. Kabiri-Fard

S. Moradi

机构：

[1] Islamic Azad University,Department of Chemistry, Science & Research Campus

[2] Tarbiat Modarres University,Department of Chemistry

[3] Islamic Azad University,Department of Chemistry

来源：

Journal of the Iranian Chemical Society | 2004年 / 1卷

关键词：

Medium rings; Stereochemistry; Conformational analysis; calculations;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Ab initio calculations at HF/6-31G* level of theory for geometry optimization and MP2/6-31G*//HF/6-31G* for a single point total energy calculation are reported for the three geometrical isomers of cycloocta-l,5-diene 1–3.

引用

页码：71 / 78

页数：7

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