4-Hydroxyphenylpyruvate Dioxygenase:  A Hybrid Density Functional Study of the Catalytic Reaction Mechanism

Biochemistry ◽  
2004 ◽  
Vol 43 (38) ◽  
pp. 12331-12342 ◽  
Author(s):  
Tomasz Borowski ◽  
Arianna Bassan ◽  
Per E. M. Siegbahn
Keyword(s):  
Reaction Mechanism ◽  
Catalytic Reaction ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Hybrid Density Functional ◽  
Catalytic Reaction Mechanism

scholarly journals Density functional study on the CO oxidation reaction mechanism on MnN2-doped graphene

RSC Advances ◽  
2020 ◽  
Vol 10 (46) ◽  
pp. 27856-27863
Author(s):  
Mingming Luo ◽  
Zhao Liang ◽  
Chao Liu ◽  
Xiaopeng Qi ◽  
Mingwei Chen ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Co Oxidation ◽  
Oxidation Reaction ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Co Oxidation Reaction ◽  
Doped Graphene ◽  
First Time

The various COOR mechanisms on MnN2-doped graphene (MnN2C2: MnN2C2-hex, MnN2C2-opp, MnN2C2-pen) were investigated for the first time.

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