scholarly journals Effect of epitaxial strain on the cation distribution in spinel ferrites CoFe2O4 and NiFe2O4: A density functional theory study

2011 ◽  
Vol 99 (8) ◽  
pp. 081916 ◽  
Author(s):  
Daniel Fritsch ◽  
Claude Ederer
Keyword(s):  
Density Functional Theory ◽  
Cation Distribution ◽  
Density Functional ◽  
Spinel Ferrites ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Epitaxial Strain

Binuclear ethylenedithiolate iron carbonyls: A density functional theory study

2021 ◽  
Vol 519 ◽  
pp. 120260
Author(s):  
Luana-Flavia Radu ◽  
Amr A.A. Attia ◽  
Radu Silaghi-Dumitrescu ◽  
Alexandru Lupan ◽  
R. Bruce King
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Iron Carbonyls
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