Density functional theory study on the inner shell of hydrated M2+(H2O)1-7 cluster ions for M = Zn, Cd and Hg

2020 ◽  
Vol 1171 ◽  
pp. 112666 ◽  
Author(s):  
Xun Yuan ◽  
Chaocan Zhang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Cluster Ions ◽  
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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