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• W2093039462 startingPage "2168" @default.
• W2093039462 abstract "The results of total-energy calculations for optimized structures of ${mathrm{Al}}_{n} (n=2ensuremath{-}6)$ and ${mathrm{Al}}_{n}{mathrm{H}}_{2}$ are presented in which properties are found to be at variance with the predictions of the electronic shell model. These differences are understood by the introduction of atomic potentials as a perturbation on the shell model. Ionization energies (5.8-6.6 eV) and electron affinities (0.1-2.1 eV) are mostly larger than for an Al atom. Bond lengths increase from 2.51 to 2.81 AA{}. ${mathrm{Al}}_{6}$ is found to be the smallest cluster that will adsorb ${mathrm{H}}_{2}$." @default.
• W2093039462 created "2016-06-24" @default.
• W2093039462 creator A5017058424 @default.
• W2093039462 date "1986-05-19" @default.
• W2093039462 modified "2023-10-16" @default.
• W2093039462 title "Structural, Electronic, and Chemisorption Properties of Small Aluminum Clusters" @default.
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• W2093039462 doi "https://doi.org/10.1103/physrevlett.56.2168" @default.
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