Density functional theory study on stacking faults and twinning in Ni nanofilms

2009 ◽  
Vol 60 (2) ◽  
pp. 124-127 ◽  
Author(s):  
Aditi Datta ◽  
U.V. Waghmare ◽  
U. Ramamurty
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Stacking Faults ◽  
Density Functional Theory Study ◽  
Functional Theory

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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