Substituent effects on steric strain

被引：22
|
作者：
Novak, I [1 ]
机构：
[1] Natl Univ Singapore, Dept Chem, Singapore 117543, Singapore
来源：
CHEMICAL PHYSICS LETTERS | 2003年 / 380卷 / 3-4期
关键词：
D O I：
10.1016/j.cplett.2003.08.109
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：
Accurate quantum chemical calculations were performed on a series of mono-substituted tetrahedranes and [3]prismanes by the high-level ab initio G3/B3LYP method. The relative stabilities of substituted tetrahedranes vs. their [3]-prismane analogues and the influence of substitution on steric strain are discussed. (C) 2003 Elsevier B.V. All rights reserved.
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页码：258 / 262
页数：5
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