Roles of Hydroxyl Groups During Side-Chain Alkylation of Toluene with Methanol over Zeolite Na-Y: A Density Functional Theory Study

2017 ◽  
Vol 35 (5) ◽  
pp. 716-722 ◽  
Author(s):  
Xu Li ◽  
Junran Lu ◽  
Yi Li ◽  
Jihong Yu
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Side Chain ◽  
Hydroxyl Groups ◽  
Density Functional Theory Study ◽  
Functional Theory

Infrared Characterization of Hydroxyl Groups on MgO:  A Periodic and Cluster Density Functional Theory Study

2007 ◽  
Vol 129 (20) ◽  
pp. 6442-6452 ◽  
Author(s):  
Céline Chizallet ◽  
Guylène Costentin ◽  
Michel Che ◽  
Françoise Delbecq ◽  
Philippe Sautet
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Hydroxyl Groups ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Cluster Density
Sign in / Sign up

Export Citation Format

Share Document