Theoretical investigation of thiophene oligomers: A spin-coupled study (Articolo in rivista)

Type
Label
  • Theoretical investigation of thiophene oligomers: A spin-coupled study (Articolo in rivista) (literal)
Anno
  • 1997-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp970088b (literal)
Alternative label
  • Forni, A; Sironi, M; Raimondi, M; Cooper, DL; Gerratt, J (1997)
    Theoretical investigation of thiophene oligomers: A spin-coupled study
    in The journal of physical chemistry. A; American Chemical Society, Washington, DC (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Forni, A; Sironi, M; Raimondi, M; Cooper, DL; Gerratt, J (literal)
Pagina inizio
  • 4437 (literal)
Pagina fine
  • 4443 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#altreInformazioni
  • Impact Factor 1998: 1.950; SJR 1999: Physical and Theoretical Chemistry, Q1 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://pubs.acs.org/doi/pdf/10.1021/jp970088b (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 101 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 7 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 24 (literal)
Note
  • Scopus (literal)
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • UNIV MILAN, DIPARTIMENTO CHIM FIS & ELETTROCHIM, I-20133 MILAN, ITALY CSRSRC, CNR, I-20133 MILAN, ITALY UNIV LIVERPOOL, DEPT CHEM, LIVERPOOL L69 3BX, MERSEYSIDE, ENGLAND UNIV BRISTOL, SCH CHEM, BRISTOL BS8 1TS, AVON, ENGLAND (literal)
Titolo
  • Theoretical investigation of thiophene oligomers: A spin-coupled study (literal)
Abstract
  • The electronic structure of thiophene oligomers is analyzed within the framework of spin-coupled theory. The pi valence electrons are correlated for either one or two central thiophene rings embedded in oligomers ranging up to six units. The localized nature of the spin-coupled orbitals, together with a proper account of the embedding, makes it possible to obtain a set of orbitals which can be transferred from smaller oligomers to larger ones. In this way, we obtain orbitals that may be considered a good approximation to those of the polymer. (literal)
Editore
Prodotto di
Autore CNR

Incoming links:


Prodotto
Autore CNR di
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi
Editore di
data.CNR.it