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• W2068756904 abstract "Photoemission from the two outermost ionizations [highest occupied molecular orbitals (HOMO and HOMO-1)] of Mg(eta(5)-C(5)H(5))(2) has been studied with synchrotron radiation in the gas phase. Strong oscillations in the HOMO-1/HOMO ratio, qualitatively similar to those well-known for fullerenes, are found. Excellent agreement with the experimental ratio is provided by accurate cross section calculations both at the density-functional theory and time-dependent density-functional theory level, indicating that a many electron response has a minor role for this effect. A comparison with the calculated values for other metal sandwich compounds indicate that the presence of oscillations is a widespread phenomenon, and a potential source of interesting information on the structural and electronic properties of the target molecule." @default.
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• W2068756904 date "2005-12-27" @default.
• W2068756904 modified "2023-09-25" @default.
• W2068756904 title "Strong Oscillations in Molecular Valence Photoemission Intensities" @default.
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• W2068756904 doi "https://doi.org/10.1103/physrevlett.95.263401" @default.
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