Pressure Effect on Structures and Optoelectronic Attributes of Mixed Halide CsPb(I/Br)3:A Density Functional Theory Study

2021 ◽  
Author(s):  
Ahmed S. Jbara ◽  
Junaid Munir ◽  
Masood Yousaf ◽  
Alam Saeed
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Pressure Effect ◽  
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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