Oligothiophene radical cations: Polaron structure in hybrid DFT and MP2 calculations

International Journal of Quantum Chemistry

Volumn 91, Issue 3 SPEC, 2003, Pages 350-354

  Geskin, V M ^a   Dkhissi, A ^a   Bredas J L ^a,b  

^a UNIVERSITY OF MONS   (Belgium)

^b UNIVERSITY OF ARIZONA   (United States)

Author keywords

Hybrid DFT; MP2; Oligothiophene; Polaron

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; FREE RADICALS; MOLECULAR STRUCTURE; POLARONS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

DELOCALIZATION; OLIGOTHIOPHENE; POLARON FORMATION; POLARON STRUCTURE; RADICAL CATIONS; THIOPHENE RINGS;

OLIGOMERS;

EID: 0037454935     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10436     Document Type: Article

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