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Ab initio study and NMR analysis of the complexion of citric acid with ion lithium

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dc.contributor.authorSambrano, JR
dc.contributor.authorZampieri, M.
dc.contributor.authorFerreira, A. G.
dc.contributor.authorLongo, Elson [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.date.accessioned2014-05-20T13:26:29Z
dc.date.available2014-05-20T13:26:29Z
dc.date.issued1999-12-15
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.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.format.extent309-318
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.doi10.1016/S0166-1280(99)00268-7
dc.identifier.issn0166-1280
dc.identifier.lattes6284168579617066
dc.identifier.urihttp://hdl.handle.net/11449/8540
dc.identifier.wosWOS:000084639500034
dc.language.isoeng
dc.publisherElsevier B.V.
dc.relation.ispartofJournal of Molecular Structure: THEOCHEM
dc.rights.accessRightsAcesso restrito
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.typeArtigo
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dcterms.rightsHolderElsevier B.V.
dspace.entity.typePublication
unesp.author.lattes6284168579617066
unesp.author.orcid0000-0001-8062-7791[4]
unesp.campusUniversidade Estadual Paulista (UNESP), Faculdade de Ciências, Baurupt
unesp.departmentMatemática - FCpt

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