A DFT and direct MO dynamics study on the structures and electronic states of phenyl-capped terthiophene

Journal of Organometallic Chemistry

Volumn 690, Issue 12, 2005, Pages 2895-2904

  Tachikawa, Hiroto ^a   Kawabata, Hiroshi ^b   Ishida, Kenji ^b   Matsushige, Kazumi ^b  

^a HOKKAIDO UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

Direct MO dynamics; LUMO energy; Molecular device; P3T; Phenyl capped thiophene

Indexed keywords

CHARGE TRANSFER; CONCENTRATION (PROCESS); ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; ENERGY ABSORPTION; HOLE MOBILITY; ION SOURCES; MOLECULAR DYNAMICS; SUBSTITUTION REACTIONS; SYNTHESIS (CHEMICAL);

DIRECT MO DYNAMICS; LUMO ENERGY; MOLECULAR DEVICE; P3T; PHENYL-CAPPED THIOPHENE;

SULFUR COMPOUNDS;

EID: 19944381913     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2005.03.003     Document Type: Article

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