Estudio teorico de las interacciones de dos modelos de ácidos húmicos con los cationes Al3+, Ca2+, Mg2+, Zn2+, K+ y NH4+ a un nivel de calculo DFT y un modelo de solvatación PCM
In this paper, two models of humic acids, the Temple-Northeastern-Birmingham (TNB) and Kolla models, were studied. Also, the complexation reaction of the structures formed by the interaction of the TNB and Kolla models with Al3+, Ca2+, Mg2+, Zn2+, K+ and NH4+ cations, common in agricultural soils, w...
| Hlavní autoři: | , , |
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| Médium: | Článek |
| Jazyk: | English |
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Sociedade Brasileira de Química
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| Edice: | Química Nova |
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| On-line přístup: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422017000300299&lng=en&tlng=en |