MOLECULAR MECHANICS CALCULATIONS (MM3) ON BICYCLOALKYL HYDROCARBONS

被引：0
|
作者：
MASTRYUKOV, VS
CHEN, K
YANG, LR
ALLINGER, NL
机构：
[1] UNIV GEORGIA, DEPT CHEM, COMPUTAT CTR MOLEC STRUCT & DESIGN, ATHENS, GA 30602 USA
[2] MOSCOW MV LOMONOSOV STATE UNIV, DEPT CHEM, MOSCOW 119899, RUSSIA
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1993年 / 99卷 / 2-3期
关键词：
D O I：
暂无
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 series of bicycloalkyl hydrocarbons were studied using molecular mechanics methods (MM3), and the results were compared with the experimental data available. Five compounds were studied: bicyclopropyl, bicyclobutyl, bicyclopentyl, bicyclohexyl and 2,3-dimethylbutane. In general, the MM3 results are in good agreement with experimental values. Predicted structures and conformations are given for the bicyclopentyl previously uninvestigated experimentally.
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页码：199 / 204
页数：6
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