Adsorption of benzene on copper, silver, and gold surfaces

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dc.contributor.author Bilic, A en_US
dc.contributor.author Hush, Ns en_US
dc.contributor.author Hoft, Rainer en_US
dc.contributor.author Ford, Mike en_US
dc.contributor.author Reimers, Jeffrey en_US
dc.date.accessioned 2009-06-26T04:10:52Z
dc.date.available 2009-06-26T04:10:52Z
dc.date.issued 2006 en_US
dc.identifier 2006004053 en_US
dc.identifier.citation Bilic A et al. 2006, 'Adsorption of benzene on copper, silver, and gold surfaces', Amer Chemical Soc, vol. 2, no. 4, pp. 1093-1105. en_US
dc.identifier.issn 1549-9618 en_US
dc.identifier.other C1 en_US
dc.identifier.uri http://hdl.handle.net/10453/573
dc.description.abstract The adsorption of benzene on the Cu(111), Ag(111), Au(111), and Cu(110) surfaces at low coverage is modeled using density-functional theory (DFT) using periodic-slab models of the surfaces as well as using both DFT and complete-active-space self-consiste en_US
dc.publisher Amer Chemical Soc en_US
dc.relation.hasversion Accepted manuscript version
dc.relation.isbasedon http://dx.doi.org/10.1021/ct050237r en_US
dc.rights This document is the Accepted Manuscript version of a Published Work that appeared in final form in J. Chem. Theory Comput., 2006, 2 (4), pp 1093–1105, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [insert ACS Articles on Request author-directed link to Published Work, see http://dx.doi.org/10.1021/ct050237r
dc.title Adsorption of benzene on copper, silver, and gold surfaces en_US
dc.parent Journal Of Chemical Theory And Computation en_US
dc.journal.volume 2 en_US
dc.journal.number 4 en_US
dc.publocation Washington, USA en_US
dc.identifier.startpage 1093 en_US
dc.identifier.endpage 1105 en_US
dc.cauo.name SCI.Physics and Advanced Materials en_US
dc.conference Verified OK en_US
dc.for 030600 en_US
dc.personcode 0000027854 en_US
dc.personcode 0000027856 en_US
dc.personcode 10203622 en_US
dc.personcode 020323 en_US
dc.personcode 121283 en_US
dc.percentage 100 en_US
dc.classification.name Physical Chemistry (incl. Structural en_US
dc.classification.type FOR-08 en_US
dc.description.keywords NA en_US
dc.staffid 020323 en_US


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