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...
| المؤلفون الرئيسيون: | , , |
|---|---|
| التنسيق: | مقال |
| اللغة: | English |
| منشور في: |
Sociedade Brasileira de Química
|
| سلاسل: | Química Nova |
| الموضوعات: | |
| الوصول للمادة أونلاين: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422017000300299&lng=en&tlng=en |