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Campo DC | Valor | Idioma |
---|---|---|
dc.creator | Bertoli, Alexandre C. | - |
dc.creator | Garcia, Jerusa S. | - |
dc.creator | Trevisan, Marcello G. | - |
dc.creator | Ramalho, Teodorico C. | - |
dc.creator | Freitas, Matheus P. | - |
dc.date.accessioned | 2019-02-15T11:26:49Z | - |
dc.date.available | 2019-02-15T11:26:49Z | - |
dc.date.issued | 2016-04 | - |
dc.identifier.citation | BERTOLI, A. C. et al. Interactions fulvate-metal (Zn2+, Cu2+ and Fe2+): theoretical investigation of thermodynamic, structural and spectroscopic properties. BioMetals, London, v. 29, n. 2, p. 275-285, Apr. 2016. | pt_BR |
dc.identifier.uri | https://link.springer.com/article/10.1007/s10534-016-9914-8 | pt_BR |
dc.identifier.uri | http://repositorio.ufla.br/jspui/handle/1/32795 | - |
dc.description.abstract | The use of theoretical calculation to determine structural properties of fulvate-metal complex (zinc, copper and iron) is here related. The species were proposed in the ratio 1:1 and 2:1 for which the molecular structure was obtained through the semi-empirical method PM6. The calculation of thermodynamic stability ( ΔH0(aq.) ) predicted that the iron complex were more exo-energetic. Metallic ions were coordinated to the phtalate groups of the model-structure of fulvic acid Suwannee River and the calculations of vibrational frequencies suggested that hydrogen bonds may help on the stability of the complex formation. | pt_BR |
dc.language | en_US | pt_BR |
dc.publisher | Springer | pt_BR |
dc.rights | restrictAccess | pt_BR |
dc.source | BioMetals | pt_BR |
dc.subject | Metallic complex | pt_BR |
dc.subject | Fulvic acid | pt_BR |
dc.subject | Theoretical calculation | pt_BR |
dc.subject | Thermodynamic stability | pt_BR |
dc.subject | Complexo metálico | pt_BR |
dc.subject | Ácido fúlvico | pt_BR |
dc.subject | Cálculo teórico | pt_BR |
dc.subject | Estabilidade termodinâmica | pt_BR |
dc.title | Interactions fulvate-metal (Zn2+, Cu2+ and Fe2+): theoretical investigation of thermodynamic, structural and spectroscopic properties | pt_BR |
dc.type | Artigo | pt_BR |
Aparece nas coleções: | DQI - Artigos publicados em periódicos |
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