Show simple item record

dc.contributor.authorHenao Aristizábal, Andrés
dc.contributor.authorPothoczki, Szilvia
dc.contributor.authorCanales Gabriel, Manel
dc.contributor.authorGuàrdia Manuel, Elvira
dc.contributor.authorPardo Soto, Luis Carlos
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física
dc.date.accessioned2016-05-02T11:40:12Z
dc.date.available2016-05-02T11:40:12Z
dc.date.issued2014-02-28
dc.identifier.citationHenao, A., Pothoczki, S., Canales, M., Guardia, E., Pardo, L. Competing structures within the first shell of liquid C2Cl6: a molecular dynamics study. "Journal of molecular liquids", 28 Febrer 2014, vol. 190, p. 121-125.
dc.identifier.issn0167-7322
dc.identifier.urihttp://hdl.handle.net/2117/86473
dc.description.abstractWe present a detailed study on the liquid structure of hexachloroethane (C2Cl6) within the first shell using the proper Euler-angles convention. Molecular dynamics is used and the van der Waals picture of a liquid is taken as the main phenomenology. Particular attention is paid to the first neighbor structure studying the distance of the center of mass (CM) and relative orientation arrangements. The distance dependence of the orientation and location of closer neighbors is studied up to the fourth neighbor (the maximum of first peak of the CM radial distribution function). An unusual arrangement in the first neighbor is seen.
dc.format.extent5 p.
dc.language.isoeng
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Física::Física molecular
dc.subject.lcshLiquids
dc.subject.lcshMolecular dynamics
dc.subject.otherMolecular liquids
dc.subject.otherMolecular dynamics
dc.titleCompeting structures within the first shell of liquid C2Cl6: a molecular dynamics study
dc.typeArticle
dc.subject.lemacLíquids
dc.subject.lemacDinàmica molecular
dc.contributor.groupUniversitat Politècnica de Catalunya. SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada
dc.contributor.groupUniversitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
dc.identifier.doi10.1016/j.molliq.2013.10.030
dc.description.peerreviewedPeer Reviewed
dc.relation.publisherversionhttp://www.sciencedirect.com/science/article/pii/S0167732213003620
dc.rights.accessOpen Access
drac.iddocument15519125
dc.description.versionPostprint (published version)
upcommons.citation.authorHenao, A., Pothoczki, S., Canales, M., Guardia, E., Pardo, L.
upcommons.citation.publishedtrue
upcommons.citation.publicationNameJournal of molecular liquids
upcommons.citation.volume190
upcommons.citation.startingPage121
upcommons.citation.endingPage125


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record

Except where otherwise noted, content on this work is licensed under a Creative Commons license: Attribution-NonCommercial-NoDerivs 3.0 Spain