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dc.contributor.author Heaton-Burgess, T
dc.contributor.author Yang, W
dc.date.accessioned 2011-04-15T16:46:51Z
dc.date.issued 2010-06-21
dc.identifier http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=000279032000016&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=47d3190e77e5a3a53558812f597b0b92
dc.identifier ARTN 234113
dc.identifier.citation JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (23)
dc.identifier.issn 0021-9606
dc.identifier.uri http://hdl.handle.net/10161/3322
dc.language.iso en_US en_US
dc.relation.ispartof JOURNAL OF CHEMICAL PHYSICS
dc.relation.isversionof 10.1063/1.3445266
dc.subject bonds (chemical)
dc.subject coupled cluster calculations
dc.subject density functional theory
dc.subject electron correlations
dc.subject ground states
dc.subject HMO calculations
dc.subject isomerism
dc.subject organic compounds
dc.title Structural manifestation of the delocalization error of density functional approximations: C4N+2 rings and C-20 bowl, cage, and ring isomers
dc.type Journal Article
dc.description.version Version of Record en_US
duke.date.pubdate 2010-6-21 en_US
duke.description.endpage 234113 en_US
duke.description.issue 23 en_US
duke.description.startpage 234113 en_US
duke.description.volume 132 en_US
dc.relation.journal Journal of Chemical Physics en_US
pubs.author-url http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=000279032000016&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=47d3190e77e5a3a53558812f597b0b92
pubs.issue 23
pubs.organisational-group /Duke
pubs.organisational-group /Duke/Trinity College of Arts & Sciences
pubs.organisational-group /Duke/Trinity College of Arts & Sciences/Chemistry
pubs.organisational-group /Duke/Trinity College of Arts & Sciences/Physics
pubs.publication-status Published
pubs.volume 132

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