A Special Conjugated Model around sp3 Carbon Atoms: Density Functional Theory Study on the Homoaromatic Electron Delocalization and Applications of Benzo-Fused Tetra(triptycene)porphyrins

ChemPhysChem ◽  
2012 ◽  
Vol 13 (8) ◽  
pp. 2046-2050 ◽  
Author(s):  
Dongdong Qi ◽  
Lijuan Zhang ◽  
Luyang Zhao ◽  
Xue Cai ◽  
Jianzhuang Jiang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Electron Delocalization ◽  
Density Functional Theory Study ◽  
Functional Theory

Binuclear ethylenedithiolate iron carbonyls: A density functional theory study

2021 ◽  
Vol 519 ◽  
pp. 120260
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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