scholarly journals Density-functional studies of the electronic structure of the perovskite oxides: La1−xCaxMnO3

1996 ◽  
Vol 79 (8) ◽  
pp. 4555 ◽  
Author(s):  
S. Satpathy ◽  
Zoran S. Popović ◽  
Filip R. Vukajlović
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Perovskite Oxides ◽  
Functional Studies

Local density functional studies of electronic structure of Be135

1995 ◽  
Vol 103 (7) ◽  
pp. 2555-2560 ◽  
Author(s):  
Shaoping Tang ◽  
A. J. Freeman ◽  
R. B. Ross ◽  
C. W. Kern
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Local Density ◽  
Functional Studies ◽  
Local Density Functional

Spectroscopic and Density Functional Studies of the Red Copper Site in Nitrosocyanin:  Role of the Protein in Determining Active Site Geometric and Electronic Structure

2005 ◽  
Vol 127 (10) ◽  
pp. 3531-3544 ◽  
Author(s):  
Lipika Basumallick ◽  
Ritimukta Sarangi ◽  
Serena DeBeer George ◽  
Brad Elmore ◽  
Alan B. Hooper ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Active Site ◽  
Density Functional ◽  
Functional Studies ◽  
Copper Site
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