Ab initio and density functional study of the Jahn-Teller distortion in the silane radical cation

1996 ◽  
Vol 262 (6) ◽  
pp. 782-788 ◽  
Author(s):  
Frank De Proft ◽  
Paul Geerlings
Keyword(s):  
Ab Initio ◽  
Radical Cation ◽  
Density Functional ◽  
Functional Study ◽  
Teller Distortion ◽  
Density Functional Study ◽  
Jahn Teller ◽  
Jahn Teller Distortion

scholarly journals The Quadricyclane to Norbornadiene Radical Cation Rearrangement: an Ab Initio and Density Functional Study.

1997 ◽  
Vol 51 ◽  
pp. 646-652 ◽  
Author(s):  
Timothy Clark ◽  
Harald Møllendal ◽  
Maria L. Durán ◽  
Alfonso Castiñeiras ◽  
Antonio Sousa ◽  
...  
Keyword(s):  
Ab Initio ◽  
Radical Cation ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Ab-initio density functional study of defect-free and defective CdO

2005 ◽  
Vol 2 (10) ◽  
pp. 3548-3551 ◽  
Author(s):  
R. Ferro ◽  
J. A. Rodríguez ◽  
M. Verstraete ◽  
V. Solomko ◽  
P. Bertrand
Keyword(s):  
Ab Initio ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

scholarly journals Density Functional Study of the Hexamethyl-(Dewar Benzene) Radical Cation and Some Related Compounds.

1997 ◽  
Vol 51 ◽  
pp. 636-640 ◽  
Author(s):  
Nessima Salhi-Benachenhou ◽  
Leif A. Eriksson ◽  
Sten Lunell ◽  
Alfonso Castiñeiras ◽  
Antonio Sousa ◽  
...  
Keyword(s):  
Radical Cation ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Related Compounds
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