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- W1993995110 abstract "The valence hole spectral functions of C6, NiC6, PdC6 and PtC6 are calculated by the ab initio third-order algebraic-diagrammatic-construction (ADC(3)) Green function method using an extended basis set. The calculations for XC6, (X = Ni, Pd, Pt) were performed, assuming the top site adsorption of the two ring forms of C6. These are the benzene structure (1A1g) possessing D6h symmetry and a distorted cyclic form (1A't) of D3h symmetry. The changes in spectral features (spectral intensity and energy level separations) from the free molecule to the adsorbate are predicted. The possibility of using the adsorbate data to determine the geometric structure of the adsorbed C6 molecule is discussed." @default.
- W1993995110 created "2016-06-24" @default.
- W1993995110 creator A5023691077 @default.
- W1993995110 creator A5071629676 @default.
- W1993995110 date "1997-10-01" @default.
- W1993995110 modified "2023-10-16" @default.
- W1993995110 title "Theoretical study of the valence level photoemission spectrum of C6 adsorbed on Ni, Pd and Pt metal surfaces" @default.
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- W1993995110 doi "https://doi.org/10.1016/s0039-6028(97)00443-3" @default.
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