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dc.date.accessioned 2021-11-05T16:20:40Z
dc.date.available 2021-11-05T16:20:40Z
dc.date.issued 2003-04-24
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/127831
dc.description.abstract A theoretical Density Functional study of the trans-3,6-dimethoxy-1,2-dioxane molecule is performed with the purpose to analyze different conformational features.The energetic stability of the different isomers is discussed in terms of several electronic factors. Results are compared with previous semiempirical studies and they are discussed in a comparative fashion. Final results show that ab initio studies allow one to overcome some drawbacks derived from the semiempirical techniques. en
dc.format.extent 1-9 es
dc.language en es
dc.subject trans-3,6-Dimethoxy-1,2-dioxane es
dc.subject Density functional methods es
dc.subject Substituted dioxanes es
dc.title Theoretical density functional study of substituted dioxanes: trans 3,6-dimethoxy-1,2-dioxane en
dc.type Articulo es
sedici.identifier.other doi:10.3998/ark.5550190.0004.f01 es
sedici.identifier.issn 1551-7012 es
sedici.identifier.issn 1551-7004 es
sedici.creator.person Castro, Eduardo Alberto es
sedici.creator.person Romero, J. M. es
sedici.creator.person Jorge, N. L es
sedici.creator.person Gomez Vara, J. M. es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Centro de Química Inorgánica es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution 4.0 International (CC BY 4.0)
sedici.rights.uri http://creativecommons.org/licenses/by/4.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle Arkivoc es
sedici.relation.journalVolumeAndIssue vol. 2003, no. 15 es


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Creative Commons Attribution 4.0 International (CC BY 4.0) Excepto donde se diga explícitamente, este item se publica bajo la siguiente licencia Creative Commons Attribution 4.0 International (CC BY 4.0)