Computational study of the catalytic effect of platinum on the decomposition of DNT

2011 ◽  
Vol 112 (7) ◽  
pp. 1852-1858 ◽  
Author(s):  
Annika Lenz ◽  
Anna Pohl ◽  
Lars Ojamäe ◽  
Petter Persson
Keyword(s):  
Catalytic Effect ◽  
Computational Study

A comparative computational study of N-heterocyclic olefin and N-heterocyclic carbene mediated carboxylative cyclization of propargyl alcohols with CO2

2016 ◽  
Vol 14 (46) ◽  
pp. 10875-10885 ◽  
Author(s):  
Weiyi Li ◽  
Dongfeng Huang ◽  
Yajing Lyu
Keyword(s):  
Catalytic Effect ◽  
Computational Study ◽  
Side Reaction ◽  
Heterocyclic Carbenes ◽  
Propargyl Alcohols

N-heterocyclic olefins are more efficient than N-heterocyclic carbenes for the carboxylative cyclization of propargyl alcohols with CO2. They also have less of a catalytic effect on the side reaction.

Computational study of catalytic effect of C3N4 on H2 release from complex hydrides

2015 ◽  
Vol 40 (29) ◽  
pp. 8897-8902 ◽  
Author(s):  
Xudong Zhao ◽  
Zhinan Ma ◽  
Dihua Wu ◽  
Xu Zhang ◽  
Yu Jing ◽  
...  
Keyword(s):  
Catalytic Effect ◽  
Computational Study ◽  
Complex Hydrides
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