Density Functional Study on UV/VIS Spectra of Copper-Protein Active Sites: The Effect of Mutations

2012 ◽  
Vol 9 (9) ◽  
pp. 1728-1738
Author(s):  
Marcel Swart ◽  
Mikael P. Johansson
Keyword(s):  
Active Sites ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Copper Protein ◽  
Protein Active Sites

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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