Crown Ether Inclusion Complexes of the Early Actinide Elements, [AnO2(18-crown-6)]n+, An = U, Np, Pu andn= 1, 2: A Relativistic Density Functional Study

2008 ◽  
Vol 47 (5) ◽  
pp. 1465-1475 ◽  
Author(s):  
Grigory A. Shamov ◽  
Georg Schreckenbach ◽  
Richard L. Martin ◽  
P. Jeffrey Hay
Keyword(s):  
Crown Ether ◽  
Inclusion Complexes ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Actinide Elements

Rb+/Cs+selectivity of benzo and tribenzo derivatives of the 21C7 crown ether. A density functional study

2002 ◽  
Vol 23 (7) ◽  
pp. 724-731 ◽  
Author(s):  
Jérôme Golebiowski ◽  
Véronique Lamare ◽  
Manuel F. Ruiz-López
Keyword(s):  
Crown Ether ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Derivatives Of

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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