Theoretical study on the mechanism of Ag-catalyzed synthesis of 3-alkylideneoxindoles from N-aryl-α-diazoamides: a Lewis acid or Ag-carbene pathway?

2012 ◽  
Vol 10 (31) ◽  
pp. 6294 ◽  
Author(s):  
Zhe Li ◽  
Hai-Xiang Gao
Keyword(s):  
Lewis Acid ◽  
Theoretical Study

How does Lewis acid affect the reactivity of mononuclear high‐valent chromium–oxo species? A theoretical study

2021 ◽  
Author(s):  
Yunhee Choi ◽  
Bhawana Pandey ◽  
Xiao‐Xi Li ◽  
Yong‐Min Lee ◽  
Kyung‐Bin Cho ◽  
...  
Keyword(s):  
Lewis Acid ◽  
Theoretical Study ◽  
High Valent

Structure-activity relationships in the production of olefins from alcohols and ethers: a first-principles theoretical study

2015 ◽  
Vol 5 (9) ◽  
pp. 4547-4555 ◽  
Author(s):  
Pavlo Kostetskyy ◽  
Giannis Mpourmpakis
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Lewis Acid ◽  
First Principles ◽  
Density Functional ◽  
Theoretical Study ◽  
Functional Theory ◽  
Structure Activity Relationships ◽  
Structure Activity

Olefin formation pathways on Lewis acid (LA) sites of Al2O3, Ga2O3 and In2O3 and gallium- and indium-doped alumina were investigated using Density Functional Theory (DFT) calculations.

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