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

    Research output: Contribution to journalArticle

    Abstract

    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.
    Original languageEnglish
    Pages (from-to)243-262
    Number of pages20
    JournalJournal of Electron Spectroscopy and Related Phenomena
    Volume33
    Issue number3
    DOIs
    Publication statusPublished - 1984

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