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• W2312673266 abstract "The geometries of the lowest-lying isomers of AunPt2, (n=1–4), clusters are determined using the density functional method B3LYP with relativistic effective core potentials (RECP) and LANL2DZ basis set. Several low-lying isomers were determined, and many of them in electronic configurations with a high spin multiplicity. The stability trend of Pt-doped Aun clusters are compared to that of pure Aun clusters. Our results show that the gold–platinum interaction is strong enough to improve the cluster stability, and indicate that the larger the Aun cluster is, smaller the distortions by substitution of the two Pt atoms are." @default.
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• W2312673266 date "2006-05-01" @default.
• W2312673266 modified "2023-10-14" @default.
• W2312673266 title "First principle calculation on AunPt2 (n=1–4) clusters" @default.
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• W2312673266 doi "https://doi.org/10.1016/j.theochem.2006.02.014" @default.
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