The ionic Diels-Alder reaction of the allyl cation and butadiene: Theoretical investigation of the mechanism
The ionic Diels-Alder reaction of the allyl cation and butadiene: Theoretical investigation of the mechanism
复制标题
DOI：
10.1016/0040-4039(96)00170-0
复制
发表时间：
1996-03-11
影响因子：
1.8
通讯作者：
Houk, KN
中科院分区：
文献类型：
--
作者：
dePascualTeresa, B;Houk, KN
采用从头算RHF和MP2方法，在6- 31 G * 基组下，对丁二烯与烯丙基阳离子反应的机理进行了研究。只有逐步机制。
The mechanism of the reaction of butadiene with allyl cation was explored using ab initio RHF and MP2 calculations and the 6-31G* basis set. Only stepwise mechanisms are found.