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Intermetallic Compounds of the Heaviest Elements: The Electronic Structure and Bonding of Dimers of Element 112 and its Homolog Hg

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Pershina, V; Bastug, Turgut; Jacob, T; Fricke, B; Varga, S

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Fully relativistic (four-component) density-functional calculations were performed for the element 112 dimers (112)X (X = Pd, Cu, Ag and Au) and those of its lighter homolog, Hg. A relatively small decrease of about 15-20 kJ/mol in bonding was found from

dc.contributor.authorPershina, V
dc.contributor.authorBastug, Turgut
dc.contributor.authorJacob, T
dc.contributor.authorFricke, B
dc.contributor.authorVarga, S
dc.date.accessioned2015-12-13T22:19:07Z
dc.identifier.issn0009-2614
dc.identifier.urihttp://hdl.handle.net/1885/71642
dc.description.abstractFully relativistic (four-component) density-functional calculations were performed for the element 112 dimers (112)X (X = Pd, Cu, Ag and Au) and those of its lighter homolog, Hg. A relatively small decrease of about 15-20 kJ/mol in bonding was found from
dc.publisherElsevier
dc.sourceChemical Physics Letters
dc.titleIntermetallic Compounds of the Heaviest Elements: The Electronic Structure and Bonding of Dimers of Element 112 and its Homolog Hg
dc.typeJournal article
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.citationvolume365
dc.date.issued2002
local.identifier.absfor020204 - Plasma Physics; Fusion Plasmas; Electrical Discharges
local.identifier.ariespublicationMigratedxPub2811
local.type.statusPublished Version
local.contributor.affiliationPershina, V, Gesellschaft fur Schwerionenforschung
local.contributor.affiliationBastug, Turgut, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationJacob, T, University of Kassel
local.contributor.affiliationFricke, B, University of Kassel
local.contributor.affiliationVarga, S, Johannes Gutenberg University of Mainz
local.description.embargo2037-12-31
local.bibliographicCitation.startpage176
local.bibliographicCitation.lastpage183
local.identifier.doi10.1016/S0009-2614(02)01428-8
dc.date.updated2015-12-11T07:45:14Z
local.identifier.scopusID2-s2.0-0037190975
CollectionsANU Research Publications

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