Where Does the Planar-to-Nonplanar Turnover Occur in Small Gold Clusters?

dc.contributor.author Olson, Ryan
dc.contributor.author Varganov, Sergey
dc.contributor.author Gordon, Mark
dc.contributor.author Metiu, Horia
dc.contributor.author Chrétien, Steeve
dc.contributor.author Piecuch, Piotr
dc.contributor.author Kowalski, Karol
dc.contributor.author Kucharski, Stanislaw
dc.contributor.author Musial, Monika
dc.contributor.department Department of Chemistry
dc.date 2018-02-17T08:16:50.000
dc.date.accessioned 2020-06-30T01:20:18Z
dc.date.available 2020-06-30T01:20:18Z
dc.date.copyright Sat Jan 01 00:00:00 UTC 2005
dc.date.issued 2005-01-01
dc.description.abstract <p>Several levels of theory, including both Gaussian-based and plane wave density functional theory (DFT), second-order perturbation theory (MP2), and coupled cluster methods (CCSD(T)), are employed to study Au6 and Au8 clusters. All methods predict that the lowest energy isomer of Au6 is planar. For Au8, both DFT methods predict that the two lowest isomers are planar. In contrast, both MP2 and CCSD(T) predict the lowest Au8 isomers to be nonplanar.</p>
dc.description.comments <p>Reprinted (adapted) with permission from <em>Journal of the American Chemical Society </em>127 (2005): 1049, doi:<a href="http://dx.doi.org/10.1021/ja040197l" target="_blank">10.1021/ja040197l</a>. Copyright 2005 American Chemical Society.</p>
dc.format.mimetype application/pdf
dc.identifier archive/lib.dr.iastate.edu/chem_pubs/455/
dc.identifier.articleid 1453
dc.identifier.contextkey 7933702
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath chem_pubs/455
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/14915
dc.language.iso en
dc.source.bitstream archive/lib.dr.iastate.edu/chem_pubs/455/0-L_2005_Gordon_WhereDoesPlanar.pdf|||Sat Jan 15 00:21:16 UTC 2022
dc.source.bitstream archive/lib.dr.iastate.edu/chem_pubs/455/2005_Gordon_WhereDoesPlanar.pdf|||Sat Jan 15 00:21:17 UTC 2022
dc.source.uri 10.1021/ja040197l
dc.subject.disciplines Chemistry
dc.title Where Does the Planar-to-Nonplanar Turnover Occur in Small Gold Clusters?
dc.type article
dc.type.genre article
dspace.entity.type Publication
relation.isAuthorOfPublication 1a5927c0-5a5f-440e-86e0-9da8dc6afda0
relation.isOrgUnitOfPublication 42864f6e-7a3d-4be3-8b5a-0ae3c3830a11
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