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dc.date.available2015-02-20T15:39:12Z
dc.date.issued2013-01-10
dc.identifier.issn1610-2940spa
dc.identifier.urihttp://hdl.handle.net/10784/5008
dc.description.abstractA random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrogenbonding networks according to calculations performed at the B3LYP/6–311++G** and MP2/6–311++G** levels -- The geometric motifs observed are somewhat similar to those encountered for the methanol tetramer, but the interactions responsible for cluster stabilization are quite different in origin -- Cluster stabilization is not related to the number of hydrogen bonds -- Two distinct, well-defined types of hydrogen bonds scattered over a wide range of distances are predictedspa
dc.language.isoengeng
dc.publisherSpringer-Verlagspa
dc.relation.ispartofJournal of Molecular Modelingspa
dc.relation.isversionofhttp://doi.org/10.1007/s00894-013-1765-4spa
dc.rightsVer condiciones de uso en: http://www.sherpa.ac.uk/romeo/search.phpspa
dc.subjectMetanotiolspa
dc.subjectOptimización estocásticaspa
dc.titleStructural characterization of the (MeSH) 4 potential energy surfacespa
dc.typeinfo:eu-repo/semantics/article
dc.typearticleeng
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccessspa
dc.publisher.programGrupo de Investigación de Electromagnetismo Aplicado (Gema)spa
dc.subject.lembISOMERÍAspa
dc.subject.lembENLACES DE HIDRÓGENOspa
dc.subject.lembASOCIACIÓN MOLECULARspa
dc.subject.lembMETIONINAspa
dc.subject.lembALGORITMOS GENÉTICOSspa
dc.subject.lembINTERACCIONES DÉBILESspa
dc.subject.lembMOLÉCULASspa
dc.publisher.departmentEscuela de Ciencias y Humanidadesspa
dc.type.localArtículospa
dc.subject.keywordIsomerismspa
dc.subject.keywordHydrogen bondingspa
dc.subject.keywordMolecular associationspa
dc.subject.keywordMethioninespa
dc.subject.keywordGenetic algorithmsspa
dc.subject.keywordWeak interactionsspa
dc.subject.keywordMoleculesspa
dc.rights.localAcceso restringidospa
dc.date.accessioned2015-02-20T15:39:12Z
dc.type.hasVersionObra publicadaspa
dc.type.hasVersionpublishedVersionspa
dc.contributor.departmentUniversidad EAFIT. Departamento de Ciencias Básicas. Grupo de Investigación de Electromagnetismo Aplicado (Gema)
dc.contributor.authorGuerra Tamayo, Doris Lucía
dc.contributor.authorRestrepo Cossio, Albeiro Alonso
dc.contributor.authorGómez Maya, Sara Luz
dc.contributor.authorDavid Caro, Jorge León


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