scholarly journals Mixed valency and site-preference chemistry for cerium and its compounds: A predictive density-functional theory study

2014 ◽  
Vol 89 (23) ◽  
Author(s):  
Aftab Alam ◽  
D. D. Johnson
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Site Preference ◽  
Density Functional Theory Study ◽  
Predictive Density ◽  
Functional Theory ◽  
Mixed Valency

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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