Rotational Barriers, Charges, and Spin Densities in Alkyl Aryl Sulfide Radical Cations:  A Density Functional Study

2004 ◽  
Vol 108 (12) ◽  
pp. 2332-2338 ◽  
Author(s):  
Enrico Baciocchi ◽  
Maria Francesca Gerini
Keyword(s):  
Density Functional ◽  
Radical Cations ◽  
Functional Study ◽  
Alkyl Aryl ◽  
Density Functional Study ◽  
Rotational Barriers ◽  
Aryl Sulfide ◽  
Spin Densities

Rotational Barriers in Trimethylenemethane-Fe(CO)2L Complexes. A Density Functional Study

1994 ◽  
Vol 13 (8) ◽  
pp. 3115-3119 ◽  
Author(s):  
Vicenc Branchadell ◽  
Liqun Deng ◽  
Tom Ziegler
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Rotational Barriers
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