Impact of the computational method on the geometric and electronic properties of oligo(phenylene vinylene) radical cations

Journal of Physical Chemistry B

Volumn 109, Issue 43, 2005, Pages 20237-20243

  Geskin, V M ^a   Grozema, F C ^c   Siebbeles, L D A ^c   Beljonne, D ^a,b   Bredas J L ^a,b   Cornil, J ^a,b  

^a UNIVERSITY OF MONS   (Belgium)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^c DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR GEOMETRY; OLIGO(PHENYLENE VINYLENE) (OPV); OPTICAL TRANSITION ENERGIES; QUANTUM-CHEMICAL METHODS;

COMPUTATIONAL METHODS; GEOMETRY; HYDROGEN INORGANIC COMPOUNDS; MOLECULAR DYNAMICS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

OLIGOMERS;

EID: 27744539449     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0519417     Document Type: Article

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