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http://repositorio.ufla.br/jspui/handle/1/41190Registro completo de metadados
| Campo DC | Valor | Idioma |
|---|---|---|
| dc.creator | Bertoli, Alexandre C. | - |
| dc.creator | Carvalho, Ruy | - |
| dc.creator | Freitas, Matheus P. | - |
| dc.creator | Ramalho, Teodorico C. | - |
| dc.creator | Mancini, Daiana T. | - |
| dc.creator | Oliveira, Maria C. | - |
| dc.creator | Varennes, Amarílis de | - |
| dc.creator | Dias, Ana | - |
| dc.date.accessioned | 2020-05-24T23:12:47Z | - |
| dc.date.available | 2020-05-24T23:12:47Z | - |
| dc.date.issued | 2015-01 | - |
| dc.identifier.citation | BERTOLI, A. C. et al. Theoretical and experimental investigation of complex structures citrate of zinc (II). Inorganica Chimica Acta, [S.l.], v. 425, p. 164-168, Jan. 2015. DOI: 10.1016/j.ica.2014.10.025. | pt_BR |
| dc.identifier.uri | https://www.sciencedirect.com/science/article/abs/pii/S0020169314006495 | pt_BR |
| dc.identifier.uri | http://repositorio.ufla.br/jspui/handle/1/41190 | - |
| dc.description.abstract | The combined use of ESI-MS and theoretical calculations for the determination of zinc:citrate structures are reported. Mass spectrometry allowed to determine the stoichiometry 1:1 and 2:1 of the complexes, corroborating the theoretical calculations. The species found in the ratio 2:1 had their molecular structures readjusted, since the deprotonation of citric acid differed from what was simulated. The thermodynamic stability (ΔH0(aq.)) of the complexes optimized at the B3LYP/LANL2DZ level was more exoenergetic than for the complexes found by the PM6 semi-empirical method. | pt_BR |
| dc.language | en_US | pt_BR |
| dc.publisher | Elsevier | pt_BR |
| dc.rights | restrictAccess | pt_BR |
| dc.source | Inorganica Chimica Acta | pt_BR |
| dc.subject | Zn complexes | pt_BR |
| dc.subject | ESI-MS | pt_BR |
| dc.subject | Theoretical calculations | pt_BR |
| dc.subject | Electrospray ionisation mass spectrometry (ESI-MS) | pt_BR |
| dc.title | Theoretical and experimental investigation of complex structures citrate of zinc (II) | pt_BR |
| dc.type | Artigo | pt_BR |
| Aparece nas coleções: | DQI - Artigos publicados em periódicos | |
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