Substituent Effects on Valence Ionization Potentials of Free Base Porphyrins: A Local Density Functional Study

1995 ◽  
Vol 117 (16) ◽  
pp. 4691-4699 ◽  
Author(s):  
Abhik Ghosh
Keyword(s):  
Density Functional ◽  
Local Density ◽  
Substituent Effects ◽  
Ionization Potentials ◽  
Functional Study ◽  
Free Base ◽  
Density Functional Study ◽  
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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