Mechanism of the Methane → Methanol Conversion Reaction Catalyzed by Methane Monooxygenase:  A Density Functional Study

1999 ◽  
Vol 121 (31) ◽  
pp. 7249-7256 ◽  
Author(s):  
Harold Basch ◽  
Koichi Mogi ◽  
Djamaladdin G. Musaev ◽  
Keiji Morokuma
Keyword(s):  
Density Functional ◽  
Methane Monooxygenase ◽  
Methanol Conversion ◽  
Functional Study ◽  
Conversion Reaction ◽  
Density Functional Study

scholarly journals Effect of the number of nitrogen dopants on the electronic and magnetic properties of graphitic and pyridinic N-doped graphene – a density-functional study

RSC Advances ◽  
2021 ◽  
Vol 11 (30) ◽  
pp. 18371-18380
Author(s):  
Erik Bhekti Yutomo ◽  
Fatimah Arofiati Noor ◽  
Toto Winata
Keyword(s):  
Magnetic Properties ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties ◽  
Doped Graphene ◽  
Dopant Atoms ◽  
Pyridinic N

The number of dopant atoms is a parameter that can effectively tune the electronic and magnetic properties of graphitic and pyridinic N-doped graphene.

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