A density functional theory study on lewis acid-catalyzed transesterification of β-oxodithioesters

2014 ◽  
Vol 114 (13) ◽  
pp. 862-868 ◽  
Author(s):  
Xiaokang Guo ◽  
Lihui Chen ◽  
Yanyan Zhu ◽  
Anqi Zhang ◽  
Donghui Wei ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Lewis Acid ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Acid Catalyzed

Mechanistic Study of the Cooperative Palladium/Lewis Acid-Catalyzed Transfer Hydrocyanation Reaction: The Origin of the Regioselectivity

2021 ◽  
Author(s):  
Dandan Jiang ◽  
Xiaojun Li ◽  
Jiali Cai ◽  
Yuna Bai ◽  
Lixiong Zhang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Lewis Acid ◽  
Density Functional ◽  
Catalytic Mechanism ◽  
Mechanistic Study ◽  
Functional Theory ◽  
Terminal Alkenes ◽  
Acid Catalyzed ◽  
Insight Into

Density functional theory (DFT) calculations have been performed to gain insight into the catalytic mechanism of the Palladium/Lewis acid-catalyzed transfer hydrocyanation of terminal alkenes to reach the linear alkyl nitrile...

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