Optical excitations and coupling constants in FeO42− and CrO44− complexes in oxides: Density functional study

1999 ◽  
Vol 111 (22) ◽  
pp. 10217-10228 ◽  
Author(s):  
K. Wissing ◽  
M. T. Barriuso ◽  
J. A. Aramburu ◽  
M. Moreno
Keyword(s):  
Density Functional ◽  
Coupling Constants ◽  
Functional Study ◽  
Density Functional Study ◽  
Optical Excitations

A Density Functional Study of Hyperfine Coupling Constants in Steroid Radicals

1999 ◽  
Vol 103 (50) ◽  
pp. 11130-11135 ◽  
Author(s):  
Philippe Lahorte ◽  
Frank De Proft ◽  
Freddy Callens ◽  
Paul Geerlings ◽  
Wim Mondelaers
Keyword(s):  
Density Functional ◽  
Hyperfine Coupling ◽  
Coupling Constants ◽  
Functional Study ◽  
Hyperfine Coupling Constants ◽  
Density Functional Study
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