Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method

2015 ◽  
Vol 142 (23) ◽  
pp. 234107 ◽  
Author(s):  
Sung Sakong ◽  
Maryam Naderian ◽  
Kiran Mathew ◽  
Richard G. Hennig ◽  
Axel Groß
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Aqueous Electrolyte ◽  
Implicit Solvent ◽  
Density Functional Theory Study ◽  
Pt Electrode ◽  
Functional Theory ◽  
Solvent Method ◽  
Electrochemical Interface

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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