scholarly journals Charge disproportionation and Jahn-Teller distortion in LiNiO2and NaNiO2: A density functional theory study

2011 ◽  
Vol 84 (8) ◽  
Author(s):  
Hungru Chen ◽  
Colin L. Freeman ◽  
John H. Harding
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Teller Distortion ◽  
Charge Disproportionation ◽  
Jahn Teller ◽  
Jahn Teller Distortion

scholarly journals Density functional theory study of the multimode Jahn-Teller problem in the fullerene anion

2012 ◽  
Vol 113 (6) ◽  
pp. 802-807 ◽  
Author(s):  
Harry Ramanantoanina ◽  
Maja Gruden-Pavlovic ◽  
Matija Zlatar ◽  
Claude Daul
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Jahn Teller
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