Comparative ab initio analysis of valence XPS data for acenes and paraphenyl oligomers: Application of the molecular orbital intensity model

Jean-Pol BOUTIQUE, Joseph Riga, Jacques Verbist, Joseph Delhalle, Joseph Fripiat

    Résultats de recherche: Contribution à un journal/une revueArticle

    Résumé

    The electronic structures of acenes and paraphenyls are approached by ab initio calculations and XPS valence data. Particular attention is drawn to the molecular-orbital intensity model, which proves to be a quite successful means of following the evolution of all the valence orbitals as a function of system size.
    langue originaleAnglais
    Pages (de - à)243-262
    Nombre de pages20
    journalJournal of Electron Spectroscopy and Related Phenomena
    Volume33
    Numéro de publication3
    Les DOIs
    Etat de la publicationPublié - 1984

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