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- W2079702189 abstract "The ionization and excitation spectra of valence and core electrons of naphthalene and azulene in the gas phase are studied with density functional theory. The results are compared with available experimental data and previous calculations. New estimates are proposed for the ionization energies of both valence and core electrons and the calculated excitation energies are consistent with experiment." @default.
- W2079702189 created "2016-06-24" @default.
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- W2079702189 date "2010-08-01" @default.
- W2079702189 modified "2023-10-17" @default.
- W2079702189 title "Density functional theory study on the electron spectra of naphthalene and azulene vapours" @default.
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- W2079702189 doi "https://doi.org/10.1139/v10-041" @default.
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