Bond alternation and unpaired spin distributions in the radical anions of cyclooctatetraene and monosubstituted derivatives. An ab initio study

1991 ◽  
Vol 113 (12) ◽  
pp. 4500-4505 ◽  
Author(s):  
James H. Hammons ◽  
David A. Hrovat ◽  
Weston Thatcher Borden
Keyword(s):  
Ab Initio ◽  
Radical Anions ◽  
Ab Initio Study ◽  
Bond Alternation ◽  
Unpaired Spin ◽  
Spin Distributions

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study

Carrier Transport in 2-D Materials: an Ab Initio Study

2019 ◽  
Author(s):  
Mathieu Luisier ◽  
Aron Szabo ◽  
Cedric Klinkert ◽  
Christian Stieger ◽  
Martin Rau ◽  
...  
Keyword(s):  
Ab Initio ◽  
Carrier Transport ◽  
Ab Initio Study
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