Quantum chemical study of the ground and excited state electronic structures of carbazole oligomers with and without triarylborane substitutes

Journal of Physical Chemistry C

Volumn 116, Issue 23, 2012, Pages 12434-12442

  Zhang, Shushu ^a,b   Qu, Zexing ^a   Tao, Peng ^c   Brooks, Bernard ^c   Shao, Yihan ^d   Chen, Xiaoyuan ^b   Liu, Chungen ^a  

^a NANJING UNIVERSITY   (China)

^b NATIONAL INSTITUTE OF BIOMEDICAL IMAGING AND BIOENGINEERING   (United States)

^c NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

^d Q Chem Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE-TRANSFER EXCITATIONS; ELECTRONIC EXCITATION; ENERGY DIAGRAM; EXPERIMENTAL INVESTIGATIONS; FUNCTIONALS; HOMO-LUMO GAPS; LOW-LYING EXCITED STATE; QUANTUM CHEMICAL STUDIES; SIDE-CHAINS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRIARYLBORANES;

CAMS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EXCITED STATES; MOLECULAR ORBITALS; OPTICAL PROPERTIES; POLYCYCLIC AROMATIC HYDROCARBONS;

OLIGOMERS;

EID: 84862274688     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3027447     Document Type: Article

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