Effect of Topology on the Singlet-Triplet Energy Difference and their Natures: A Density Functional Theory Study of Carbazolyl-Phthalonitrile Derivatives

2017 ◽  
Vol 38 (8) ◽  
pp. 899-903 ◽  
Author(s):  
Dongwook Kim
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Energy Difference ◽  
Density Functional Theory Study ◽  
Triplet Energy ◽  
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2021 ◽  
Vol 519 ◽  
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Author(s):  
Luana-Flavia Radu ◽  
Amr A.A. Attia ◽  
Radu Silaghi-Dumitrescu ◽  
Alexandru Lupan ◽  
R. Bruce King
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Iron Carbonyls
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