Determination of Gluconate Binding Properties on Magnetite Surface and Investigation of Carboxymethylation and Hydrazination Mechanisms of the Gluconated Magnetite Surface: A Computational Study

In the present study, the probable binding structure of a gluconate molecule with magnetite, (Fe3O4) nanoparticles, as well as, carboxymethylation and hydrazination mechanisms of the gluconate bound to the iron oxide surface have been computationally investigated by the DFT-B3LYP method. The B3LYP/L...

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Bibliographic Details
Main Authors: Işılay ÖZTÜRK, Şenay ŞANLIER, Armağan KINAL
Format: Article
Language:English
Published: Turkish Chemical Society 2020-02-01
Series:Journal of the Turkish Chemical Society, Section A: Chemistry
Subjects:
dft
Online Access:https://dergipark.org.tr/en/pub/jotcsa/issue/49279/615671