Substituent Effect on the Dissociation Energy of the Si-H Bond: A Density Functional Study

1995 ◽  
Vol 60 (4) ◽  
pp. 821-828 ◽  
Author(s):  
Yun-Dong Wu ◽  
Chui-Ling Wong
Keyword(s):  
Dissociation Energy ◽  
Substituent Effect ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Substituent Effects on the C−H Bond Dissociation Energy of Toluene. A Density Functional Study

1996 ◽  
Vol 61 (2) ◽  
pp. 746-750 ◽  
Author(s):  
Yun-Dong Wu ◽  
Chui-Ling Wong ◽  
Kyle W. K. Chan ◽  
Guo-Zhen Ji ◽  
Xi-Kui Jiang
Keyword(s):  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Density Functional ◽  
Substituent Effects ◽  
Functional Study ◽  
Density Functional Study ◽  
Bond Dissociation

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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