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dc.contributor.authorCasulleras Ambrós, Joaquín
dc.contributor.authorGuàrdia Manuel, Elvira
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.date.accessioned2014-11-25T15:26:54Z
dc.date.created1991-01
dc.date.issued1991-01
dc.identifier.citationCasulleras, J.; Guardia, E. Computer simulation of liquid methanol ii:system size effects. "Molecular simulation", Gener 1991, vol. 8, núm. 3-5, p. 273-283.
dc.identifier.issn0892-7022
dc.identifier.urihttp://hdl.handle.net/2117/24846
dc.description.abstractA series of molecular dynamics simulations of liquid methanol has been carried out on a supernode transputer array. Four system sizes from 125 to 512 molecules have been considered, in order to study the effect of system size on the calculated structural, orientational and dynamic properties. The dielectric constant and the dielectric relaxation time are compared with experimental data.
dc.format.extent11 p.
dc.language.isoeng
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Física
dc.subject.lcshMolecular dynamics
dc.subject.lcshMethanol
dc.subject.lcshDielectric relaxation
dc.subject.otherMolecular dynamics
dc.subject.othermethanol
dc.subject.othersystem size effects
dc.subject.otherdielectric constant
dc.subject.otherdielectric relaxation time
dc.titleComputer simulation of liquid methanol ii:system size effects
dc.typeArticle
dc.subject.lemacDinàmica molecular
dc.subject.lemacMetanol
dc.subject.lemacRelaxació dielèctrica
dc.contributor.groupUniversitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity
dc.identifier.doi10.1080/08927029208022482
dc.rights.accessRestricted access - publisher's policy
local.identifier.drac1246315
dc.description.versionPostprint (published version)
dc.date.lift10000-01-01
local.citation.authorCasulleras, J.; Guardia, E.
local.citation.publicationNameMolecular simulation
local.citation.volume8
local.citation.number3-5
local.citation.startingPage273
local.citation.endingPage283


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