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A study of the reactions of molecular hydrogen with small gold clusters

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dc.contributor.authorVarganov, Sergey A.
dc.contributor.authorOlson, Ryan M.
dc.contributor.authorGordon, Mark S.
dc.contributor.authorMills, Greg
dc.contributor.authorMetiu, Horia
dc.date.accessioned2015-11-24T05:06:01Z
dc.date.available2015-11-24T05:06:01Z
dc.date.issued2004-03-15
dc.description.abstractThis work presents a study of reactions between neutral and negatively chargedAunclusters(n=2,3) and molecular hydrogen. The binding energies of the first and second hydrogen molecule to the goldclusters were determined using density functional theory(DFT), second order perturbation theory (MP2) and coupled cluster (CCSD(T)) methods.en_AU
dc.description.sponsorshipThis work was supported by AFOSR through a DURINT grant.en_AU
dc.identifier.issn0021-9606en_AU
dc.identifier.urihttp://hdl.handle.net/1885/16661
dc.publisherAmerican Institute of Physics (AIP)en_AU
dc.rightshttp://www.sherpa.ac.uk/romeo/issn/0021-9606..."Publishers version/PDF may be used on author's personal website, institutional website or institutional repository" from SHERPA/RoMEO site (as at 24/11/15). Copyright 2004 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at https://doi.org/10.1063/1.1647118en_AU
dc.sourceThe Journal of Chemical Physicsen_AU
dc.titleA study of the reactions of molecular hydrogen with small gold clustersen_AU
dc.typeJournal articleen_AU
local.bibliographicCitation.issue11en_AU
local.bibliographicCitation.lastpage5175en_AU
local.bibliographicCitation.startpage5169en_AU
local.contributor.affiliationVarganov, Sergey, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National Universityen_AU
local.contributor.affiliationOlson, Ryan, Iowa State University, United States of Americaen_AU
local.contributor.affiliationGordon, Mark S, Iowa State University, United States of Americaen_AU
local.contributor.affiliationMills, Greg, University of California, United States of Americaen_AU
local.contributor.affiliationMetiu, Horia, University of California, United States of Americaen_AU
local.contributor.authoruidu4300087en_AU
local.description.notesImported from ARIES. At the time of publication Sergey A. Varganov was affiliated with Department of Chemistry, Iowa State University.en_AU
local.identifier.absfor030701en_AU
local.identifier.ariespublicationu4217927xPUB111en_AU
local.identifier.citationvolume120en_AU
local.identifier.doi10.1063/1.1647118en_AU
local.publisher.urlhttps://www.aip.org/en_AU
local.type.statusPublished Versionen_AU

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