Structure of Au 8: Planar or nonplanar?

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Abstract

We have studied the structures and stabilities of Au6 and Au8 at the density-functional theory (DFT) and ab initio correlated levels of theory. For Au8, our ab initio calculations predict the lowest Au8 isomer to be planar, in line with the DFT calculations.

Original languageEnglish
Article number024316
JournalJournal of Chemical Physics
Volume124
Issue number2
DOIs
StatePublished - 2006

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