A Classical Density Functional Theory Study of the Neat n-Alkane/Water Interface

2012 ◽  
Vol 116 (33) ◽  
pp. 17641-17649 ◽  
Author(s):  
Bennett D. Marshall ◽  
Kenneth R. Cox ◽  
Walter G. Chapman
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Water Interface ◽  
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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