scholarly journals Density functional study of the electronic structure of dye-functionalized fullerenes and their model donor-acceptor complexes containing P3HT

2016 ◽  
Vol 144 (14) ◽  
pp. 144304 ◽  
Author(s):  
Tunna Baruah ◽  
Amanda Garnica ◽  
Marina Paggen ◽  
Luis Basurto ◽  
Rajendra R. Zope
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Functionalized Fullerenes ◽  
Donor Acceptor

A Gas- and Condensed-Phase Density Functional Study of Donor−Acceptor Complexes of Sulfur Trioxide

2006 ◽  
Vol 110 (17) ◽  
pp. 5831-5838 ◽  
Author(s):  
Brian N. Ida ◽  
Peter S. Fudacz ◽  
Douglas H. Pulsifer ◽  
Jean M. Standard
Keyword(s):  
Condensed Phase ◽  
Sulfur Trioxide ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Phase Density ◽  
Donor Acceptor

Geometrical and Electronic Structure of the Pt7Cluster:  A Density Functional Study

2004 ◽  
Vol 108 (17) ◽  
pp. 3806-3812 ◽  
Author(s):  
Wei Quan Tian ◽  
Maofa Ge ◽  
B. R. Sahu ◽  
Dianxun Wang ◽  
Toshiki Yamada ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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