Density Functional Study of the Palladium Acetate Catalyzed Wacker Reaction in Acetic Acid

1999 ◽  
Vol 103 (1) ◽  
pp. 80-88 ◽  
Author(s):  
David D. Kragten ◽  
Rutger A. van Santen ◽  
Jan J. Lerou
Keyword(s):  
Acetic Acid ◽  
Density Functional ◽  
Functional Study ◽  
Palladium Acetate ◽  
Density Functional Study

A Density Functional Study of the Acetoxylation of Ethylene to Vinyl Acetate Catalyzed by Palladium Acetate

1999 ◽  
Vol 103 (15) ◽  
pp. 2756-2765 ◽  
Author(s):  
David D. Kragten ◽  
Rutger A. van Santen ◽  
Matthew Neurock ◽  
Jan J. Lerou
Keyword(s):  
Vinyl Acetate ◽  
Density Functional ◽  
Functional Study ◽  
Palladium Acetate ◽  
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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