ChemInform Abstract: The First Density Functional Study on the [4 + 2]-Cycloaddition Reactions of 1,2-Diaza-1,3-butadiene with Alkenes (I).

ChemInform ◽  
2001 ◽  
Vol 32 (11) ◽  
pp. no-no
Author(s):  
Martin Avalos ◽  
Reyes Babiano ◽  
Fernando R. Clemente ◽  
Pedro Cintas ◽  
Ruth Gordillo ◽  
...  
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Cycloaddition Reactions ◽  
Density Functional Study

The First Density Functional Study on the [4 + 2]-Cycloaddition Reactions of 1,2-Diaza-1,3-butadiene with Alkenes

2000 ◽  
Vol 65 (24) ◽  
pp. 8251-8259 ◽  
Author(s):  
Martín Avalos ◽  
Reyes Babiano ◽  
Fernando R. Clemente ◽  
Pedro Cintas ◽  
Ruth Gordillo ◽  
...  
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Cycloaddition Reactions ◽  
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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