Electron solvation by highly polar molecules: Density functional theory study of atomic sodium interaction with water, ammonia, and methanol

2004 ◽  
Vol 120 (18) ◽  
pp. 8683-8691 ◽  
Author(s):  
Y. Ferro ◽  
A. Allouche ◽  
V. Kempter
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Polar Molecules ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Electron Solvation ◽  
Atomic Sodium

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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