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Please use this identifier to cite or link to this item: https://hdl.handle.net/1959.11/15462
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dc.contributor.authorSmith, Ericaen
dc.contributor.authorHaymet, Anthony D Jen
dc.date.accessioned2014-08-12T11:27:00Z-
dc.date.issued2004-
dc.identifier.citationMolecular Simulation, 30(13-15), p. 827-830en
dc.identifier.issn1029-0435en
dc.identifier.issn0892-7022en
dc.identifier.urihttps://hdl.handle.net/1959.11/15462-
dc.description.abstractFavorable and unfavorable locations for positive and negative ions in the ice 1 h lattice are investigated by molecular dynamics methods. This is a first step in calculating the solubility of ions in ice as distinct from liquid water.en
dc.languageenen
dc.publisherTaylor & Francisen
dc.relation.ispartofMolecular Simulationen
dc.titleIon Solubility in Ice: Calculation of Potentially Favorable Positions of CI- and Na+ Ions in the SPC/E Model of Ice 1 h*en
dc.typeJournal Articleen
dc.identifier.doi10.1080/08927020410001709325en
dc.subject.keywordsTheoretical and Computational Chemistryen
dc.subject.keywordsStatistical Mechanics in Chemistryen
local.contributor.firstnameEricaen
local.contributor.firstnameAnthony D Jen
local.subject.for2008030799 Theoretical and Computational Chemistry not elsewhere classifieden
local.subject.for2008030704 Statistical Mechanics in Chemistryen
local.subject.seo2008970102 Expanding Knowledge in the Physical Sciencesen
local.subject.seo2008970103 Expanding Knowledge in the Chemical Sciencesen
local.profile.schoolSchool of Science and Technologyen
local.profile.schoolChemistryen
local.profile.emailesmith32@une.edu.auen
local.profile.emailtony.haymet@csiro.auen
local.output.categoryC1en
local.record.placeauen
local.record.institutionUniversity of New Englanden
local.identifier.epublicationsrecordune-20140812-092430en
local.publisher.placeUnited Kingdomen
local.format.startpage827en
local.format.endpage830en
local.identifier.scopusid11144249320en
local.peerreviewedYesen
local.identifier.volume30en
local.identifier.issue13-15en
local.title.subtitleCalculation of Potentially Favorable Positions of CI- and Na+ Ions in the SPC/E Model of Ice 1 h*en
local.contributor.lastnameSmithen
local.contributor.lastnameHaymeten
dc.identifier.staffune-id:esmith32en
local.profile.orcid0000-0002-8090-4768en
local.profile.roleauthoren
local.profile.roleauthoren
local.identifier.unepublicationidune:15679en
local.identifier.handlehttps://hdl.handle.net/1959.11/15462en
dc.identifier.academiclevelAcademicen
local.title.maintitleIon Solubility in Iceen
local.output.categorydescriptionC1 Refereed Article in a Scholarly Journalen
local.search.authorSmith, Ericaen
local.search.authorHaymet, Anthony D Jen
local.uneassociationUnknownen
local.year.published2004en
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