A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds

1992 ◽  
Vol 96 (16) ◽  
pp. 6630-6636 ◽  
Author(s):  
Carlos Sosa ◽  
Jan Andzelm ◽  
Brad C. Elkin ◽  
Erich Wimmer ◽  
Kerwin D. Dobbs ◽  
...  
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Local Density ◽  
Vibrational Frequencies ◽  
Transition Metal Compounds ◽  
Functional Study ◽  
Metal Compounds ◽  
Density Functional Study ◽  
Molecular Transition ◽  
Local Density Functional

Metal/conjugated polymer interfaces: A local density functional study of aluminum/polyene interactions

1994 ◽  
Vol 100 (12) ◽  
pp. 9258-9264 ◽  
Author(s):  
C. Fredriksson ◽  
R. Lazzaroni ◽  
J. L. Brédas ◽  
A. Ouhlal ◽  
A. Selmani
Keyword(s):  
Conjugated Polymer ◽  
Density Functional ◽  
Local Density ◽  
Functional Study ◽  
Polymer Interfaces ◽  
Density Functional Study ◽  
Local Density Functional
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