Photoelectron spectra and electronic structure of furan homologues computed by the ms scf Xα method |
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Authors: | Giancarlo De Alti Piero Decleva |
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Institution: | Istituto di Chimica, Università di Trieste, Trieste 34137, Italy |
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Abstract: | The ionization energies of furan, thiophene, selenophene and tellurophene are evaluated by the MS Xα method. From the results obtained and a comparison with previous calculations an assignment or experimental spectra is proposed. An analysis of the nature of the molecular orbitals is presented. |
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