The GeH4+ radical cation. An ab initio study of its ground-state structure and kinetic stability

1988 ◽  
Vol 148 (1) ◽  
pp. 73-78 ◽  
Author(s):  
Takako Kudo ◽  
Shigeru Nagase
Keyword(s):  
Ab Initio ◽  
Radical Cation ◽  
Ground State ◽  
Kinetic Stability ◽  
Ground State Structure ◽  
Ab Initio Study ◽  
State Structure

scholarly journals Stabilities and defect-mediated lithium-ion conduction in a ground state cubic Li3N structure

2016 ◽  
Vol 18 (5) ◽  
pp. 4185-4190 ◽  
Author(s):  
Manh Cuong Nguyen ◽  
Khang Hoang ◽  
Cai-Zhuang Wang ◽  
Kai-Ming Ho
Keyword(s):  
Crystal Structure ◽  
Ab Initio ◽  
Ground State ◽  
Lithium Ion ◽  
Search Method ◽  
Ground State Structure ◽  
State Structure ◽  
Cubic Symmetry ◽  
Structure Search ◽  
Lithium Ion Conduction

A stable ground state structure with cubic symmetry of Li3N (c-Li3N) is found by an ab initio initially symmetric random-generated crystal structure search method.

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