Intramolecular charge transfer in π-conjugated oligomers: A theoretical study on the effect of temperature and oxidation state

Theoretical Chemistry Accounts

Volumn 119, Issue 5-6, 2008, Pages 469-476

  Aschi, Massimiliano ^a   D'Alessandro, Maira ^b   Pellegrino, Monica ^b   Nola, Alfredo Di ^b   D'Abramo, Marco ^b,c   Amadei, Andrea ^d  

^a UNIVERSITY OF L'AQUILA   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

^c BARCELONA SUPERCOMPUTING CENTER   (Spain)

^d UNIVERSITY OF ROME TOR VERGATA   (Italy)

Author keywords

Intramolecular charge transfer; Molecular dynamics; Molecular electronics; Quantum chemistry

Indexed keywords

EID: 43349085764     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-007-0407-2     Document Type: Article

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