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The European Journal of Technical and Natural Sciences, Issue 3/2016

Quantum-chemical investigation of energetic and structural properties of “Cu (II) complex with a new ion exchanger”

DOI: https://doi.org/10.29013/EJTNS-16-3-98-101

Pages: 98 - 101

Authors: Kattaev N. T., Ramazonov A. K.

Abstract: In this work, quantum-chemical modelling of copper-containing complex structures formed by complexing a new ion exchanger were performed with a DFT. The binding energy within the models was calculated based on the functional groups of the new ion exchanger. Based on the values of the geometric characteristics of the equilibrium states, the nature of interactions were established in coordination structures

Keywords: ion exchanger, sorption, binding energy, complex structure

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