Odd-even effects in the homologous series of alkyl-cyanobiphenyl liquid crystals: A molecular dynamic study

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dc.contributor.authorCapar, Mine Ilk
dc.contributor.authorCebe, Emine
dc.date.accessioned2019-10-27T20:01:29Z
dc.date.available2019-10-27T20:01:29Z
dc.date.issued2007
dc.departmentEge Üniversitesien_US
dc.description.abstractFor the first five members of the homologous series of 4-n-alkyl-4'-cyanobiphenyls in the nematic and isotropic phases, molecular dynamics (MD) simulations were performed by using a united atom model. An odd-even effect was seen to be found in the molecular length, width, biaxiality, and inertia tensor anisotropy with the length of alkyl chain. The distributions of the molecular length, width, and inertia tensor anisotropy were presented. The orientational distributions of the last C-C bonds in the alkyl chain were also evaluated for nematic and isotropic phases. (c) 2007 Wiley Periodicals, Inc.en_US
dc.identifier.doi10.1002/jcc.20704en_US
dc.identifier.endpage2146en_US
dc.identifier.issn0192-8651
dc.identifier.issn1096-987X
dc.identifier.issue13en_US
dc.identifier.pmid17471456en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.startpage2140en_US
dc.identifier.urihttps://doi.org/10.1002/jcc.20704
dc.identifier.urihttps://hdl.handle.net/11454/41262
dc.identifier.volume28en_US
dc.identifier.wosWOS:000248967300007en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherWileyen_US
dc.relation.ispartofJournal of Computational Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectodd-even effecten_US
dc.subjectnematicen_US
dc.subjectmolecular dynamicsen_US
dc.titleOdd-even effects in the homologous series of alkyl-cyanobiphenyl liquid crystals: A molecular dynamic studyen_US
dc.typeArticleen_US

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