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THE UNCATALYZED HYDROSILATION REACTION
被引:0
|作者:
GORDON, MS
DAY, PN
机构:
来源:
THEORETICA CHIMICA ACTA
|
1995年
/
91卷
/
1-2期
关键词:
HYDROSILATION REACTION;
CATALYST;
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:
The reactions of ethylene with silane, chlorosilane, fluorosilane, and dichlorosilane, and of propylene with silane are considered using ab initio electronic structure calculations. At both the MP2 and MP4 levels of theory with both DZP and TZP quality basis sets, the energy barriers for all reactions are found to be in excess of 50 kcal/mol.
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页码:83 / 90
页数:8
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