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dc.date.accessioned 2014-04-29T20:52:13Z
dc.date.available 2014-04-29T20:52:13Z
dc.date.issued 2003
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/35054
dc.description.abstract The results of a theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene are reported. The AM1 molecular orbital semiempirical method is applied through a complete optimization procedure without any restrictions to find the optimal equilibrium geometries. The comparative capabilities of ethylene and acetylene molecules to form stable complexes with o-tetrafluorophenylene mercury are analyzed and their corresponding bonding features are discussed. Ethylene seems to be capable of forming a molecular complex while acetylene is predicted to be incapable of doing so. en
dc.format.extent 418-429 es
dc.language en es
dc.subject acetylene en
dc.subject μ6-η2:η2:η2: η2:η2:η2 bonding mode en
dc.subject ethylene en
dc.subject AM1 semiempirical method en
dc.subject ethylene-acetylene en
dc.subject mercury en
dc.subject O-tetrafluorophenylene mercury en
dc.subject phenazone en
dc.subject chemical interaction en
dc.subject molecular dynamics en
dc.title Theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene en
dc.type Articulo es
sedici.identifier.uri http://www.mdpi.com/1420-3049/8/5/418 es
sedici.identifier.other eid:2-s2.0-3342963368
sedici.identifier.issn 1420-3049 es
sedici.creator.person Castro, Eduardo A. es
sedici.subject.materias Ciencias Exactas es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Facultad de Ciencias Exactas es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution 3.0 Unported (CC BY 3.0)
sedici.rights.uri http://creativecommons.org/licenses/by/3.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle Molecules es
sedici.relation.journalVolumeAndIssue vol. 8, no. 5 es


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Creative Commons Attribution 3.0 Unported (CC BY 3.0) Excepto donde se diga explícitamente, este item se publica bajo la siguiente licencia Creative Commons Attribution 3.0 Unported (CC BY 3.0)