Theoretical Investigations of the Herbicide Glyphosate Adsorption on the B12N12 Nanocluster

Theoretical Investigations of the Herbicide Glyphosate Adsorption on the B12N12 Nanocluster

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Nowadays is emergent the development of new materials which can be used in the adsorption process to remove herbicide glyphosate from the aquatic environment. Therefore, density functional theory (DFT) calculations were performed to study the adsorption process of the glyphosate on the B12N12 nanoca...

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Bibliographic Details
Main Authors: Osmair Vital de Oliveira, José Divino dos Santos, Júnio César Fonseca Silva, Luciano T. Costa, Moacir Fernandes Ferreira Junior, Eduardo de Faria Franca
Format: Article
Language:English
Published: Universidade Federal de Mato Grosso do Sul 2017-07-01
Series:Orbital: The Electronic Journal of Chemistry
Subjects:
glyphosate@B12N12 complex
adsorption process
thermodynamic properties
DFT
Online Access:https://periodicos.ufms.br/index.php/orbital/article/view/16495

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https://periodicos.ufms.br/index.php/orbital/article/view/16495

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