Ab initio calculations of absorption spectra of large molecules in solution: coumarin C153 (Articolo in rivista)

Type
Label
  • Ab initio calculations of absorption spectra of large molecules in solution: coumarin C153 (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Improta, Roberto; Barone, Vincenzo; Santoro, Fabrizio (2007)
    Ab initio calculations of absorption spectra of large molecules in solution: coumarin C153
    in Angewandte Chemie (Int. ed., Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Improta, Roberto; Barone, Vincenzo; Santoro, Fabrizio (literal)
Pagina inizio
  • 405 (literal)
Pagina fine
  • 408 (literal)
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  • 46 (literal)
Rivista
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  • Pubblicazione su rivista scientifica (literal)
Note
  • ISI Web of Science (WOS) (literal)
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  • [Barone V: Università Federico II- Napoli] (literal)
Titolo
  • Ab initio calculations of absorption spectra of large molecules in solution: coumarin C153 (literal)
Abstract
  • An ab initio method for calculating the absorption spectra of large molecules including solvent effects and molecular vibrations shows how the solvent can shift the spectra and modulate their shapes (see picture; black lines: stick representation of absorption spectrum). The computed spectra of coumarin C153 in various solvents agree with the experimental ones. (literal)
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