Theoretical study of the relations between structure and photophysical properties of model oligofluorenes with central keto defect

Journal of Physical Chemistry A

Volumn 113, Issue 51, 2009, Pages 14141-14149

  Lukeš, Vladimír ^a   Šolc, Roland ^a   Lischka, Hans ^b   Kauffmann, Harald Friedrich ^b  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AB - INITIO HARTREE-FOCK; CONFIGURATION INTERACTION SINGLES; ELECTRONIC GROUND STATE; FLUORENES; FLUORENONES; FLUORESCENCE ENERGY; HEPTAMERS; KETO DEFECTS; OLIGOFLUORENES; OPTICAL EXCITATIONS; OPTICAL EXPERIMENTS; OPTIMAL GEOMETRY; PENTAMERS; PHOTOPHYSICAL PROPERTIES; PLANARIZATION; RELAXATION PHENOMENA; STRUCTURAL POINT; SYSTEMATIC STUDY; THEORETICAL RESULT; THEORETICAL STUDY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT; TORSIONAL POTENTIALS;

DEFECT DENSITY; DEFECTS; EXPERIMENTS; KETONES; OLIGOMERS; PHOTOEXCITATION; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

EID: 73349121642     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp902658u     Document Type: Article

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