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Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/8540
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dc.contributor.authorSambrano, JR-
dc.contributor.authorZampieri, M.-
dc.contributor.authorFerreira, A. G.-
dc.contributor.authorLongo, Elson-
dc.date.accessioned2014-05-20T13:26:29Z-
dc.date.accessioned2016-10-25T16:46:39Z-
dc.date.available2014-05-20T13:26:29Z-
dc.date.available2016-10-25T16:46:39Z-
dc.date.issued1999-12-15-
dc.identifierhttp://dx.doi.org/10.1016/S0166-1280(99)00268-7-
dc.identifier.citationJournal of Molecular Structure-theochem. Amsterdam: Elsevier B.V., v. 493, p. 309-318, 1999.-
dc.identifier.issn0166-1280-
dc.identifier.urihttp://hdl.handle.net/11449/8540-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/8540-
dc.description.abstractQuantum mechanics calculations at the ab initio HF/3-21G* level were carried out with Nuclear Magnetic Resonance (NMR) measurements to characterize citric acid and lithium interactions. The results indicate the formation of a tridentate organometallic compound with one lithium and one citric acid molecule and a tridentate and bidentate compound of two lithium atoms and one citric acid molecule. The results are in agreement with the experimental and theoretical data. (C) 1999 Elsevier B.V. B.V. All rights reserved.en
dc.format.extent309-318-
dc.language.isoeng-
dc.publisherElsevier B.V.-
dc.sourceWeb of Science-
dc.subjectab initiopt
dc.subjectcitric acidpt
dc.subjectlithiumpt
dc.subjectpolymerizationpt
dc.subjectorganometallicpt
dc.titleAb initio study and NMR analysis of the complexion of citric acid with ion lithiumen
dc.typeoutro-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)-
dc.description.affiliationUNESP, Dept Matemat, BR-17030360 Bauru, SP, Brazil-
dc.description.affiliationUFSCar, Dept Quim, BR-13565905 Sao Carlos, SP, Brazil-
dc.description.affiliationUnespUNESP, Dept Matemat, BR-17030360 Bauru, SP, Brazil-
dc.identifier.doi10.1016/S0166-1280(99)00268-7-
dc.identifier.wosWOS:000084639500034-
dc.rights.accessRightsAcesso restrito-
dc.relation.ispartofJournal of Molecular Structure: THEOCHEM-
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

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