CASSCF/CASPT2 and TD-DFT study of valence and rydberg electronic transitions in fluorene, carbazole, dibenzofuran, and dibenzothiophene

Journal of Physical Chemistry A

Volumn 115, Issue 18, 2011, Pages 4840-4850

  Ljubić, Ivan ^a   Sabljić, Aleksandar ^a  

^a RUDER BO KOVI INSTITUTE   (Croatia)

Author keywords

[No Author keywords available]

Indexed keywords

CAS-SCF; DIBENZOFURANS; DIBENZOTHIOPHENES; ELECTRONIC TRANSITION; FLUORENES; IONIZATION THRESHOLDS; MULTI REFERENCE; RYDBERG; THEORETICAL TREATMENTS; TIME-DEPENDENT DFT; VACUUM REGION;

FORECASTING; IONIZATION; POLYCYCLIC AROMATIC HYDROCARBONS; ULTRAVIOLET SPECTROSCOPY; VACUUM;

FLUORINE CONTAINING POLYMERS;

BENZOFURAN DERIVATIVE; CARBAZOLE; CARBAZOLE DERIVATIVE; DIBENZOFURAN; DIBENZOTHIOPHENE; FLUORENE; FLUORENE DERIVATIVE; THIOPHENE DERIVATIVE;

ARTICLE; CHEMISTRY; ELECTRON; QUANTUM THEORY; TIME;

BENZOFURANS; CARBAZOLES; ELECTRONS; FLUORENES; QUANTUM THEORY; THIOPHENES; TIME FACTORS;

EID: 79955870465     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp201618a     Document Type: Article

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