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• W2320136418 endingPage "12840" @default.
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• W2320136418 abstract "The structure and properties of medium-sized (GaAs)n clusters (n = 18–36) were investigated using density functional theory with the generalized gradient approximation. In general, stuffed topologies are the lowest energy states. Tubular and other cage-like structures are less energetically preferable. Structural transition from cages to stuffed topologies occurred at an approximate size of n = 20. In addition, the binding energy per unit, the highest occupied molecular orbital and the lowest unoccupied molecular orbital gaps, the density of states, and infrared spectra were investigated." @default.
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• W2320136418 date "2013-06-10" @default.
• W2320136418 modified "2023-09-26" @default.
• W2320136418 title "Stuffing Enhances the Stability of Medium-Sized (GaAs)_<i>n</i> Clusters" @default.
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• W2320136418 doi "https://doi.org/10.1021/jp401426r" @default.
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