scholarly journals Mechanisms of condensed-phase dissociation of nitramines: A density-functional study

2012 ◽  
Author(s):  
Igor V. Schweigert
Keyword(s):  
Condensed Phase ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

A Gas- and Condensed-Phase Density Functional Study of Donor−Acceptor Complexes of Sulfur Trioxide

2006 ◽  
Vol 110 (17) ◽  
pp. 5831-5838 ◽  
Author(s):  
Brian N. Ida ◽  
Peter S. Fudacz ◽  
Douglas H. Pulsifer ◽  
Jean M. Standard
Keyword(s):  
Condensed Phase ◽  
Sulfur Trioxide ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Phase Density ◽  
Donor Acceptor

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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