Neutral Tantalum−Carbide Clusters:  A Multiphoton Ionization and Density Functional Theory Study

2000 ◽  
Vol 104 (15) ◽  
pp. 3308-3316 ◽  
Author(s):  
Michael W. Heaven ◽  
Gerarda M. Stewart ◽  
Mark A. Buntine ◽  
Gregory F. Metha
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Multiphoton Ionization ◽  
Tantalum Carbide ◽  
Density Functional Theory Study ◽  
Functional Theory

Ionization Potentials of Tantalum−Carbide Clusters:  An Experimental and Density Functional Theory Study

2005 ◽  
Vol 109 (49) ◽  
pp. 11180-11190 ◽  
Author(s):  
Viktoras Dryza ◽  
M. A. Addicoat ◽  
Jason R. Gascooke ◽  
Mark A. Buntine ◽  
Gregory F. Metha
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Tantalum Carbide ◽  
Ionization Potentials ◽  
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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