Email this article Molecular simulation of langmuir monolayer formation by Gd(III) stearate complexes
- Authors: Buz’ko V.Y.1,2, Chuiko G.Y.2, Sokolov M.E.2, Panyushkin V.T.2
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Affiliations:
- Laboratory of the Molecular Modeling of Chemical Processes and Compounds
- Kuban State University
- Issue: Vol 91, No 12 (2017)
- Pages: 2409-2414
- Section: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/169805
- DOI: https://doi.org/10.1134/S0036024417120044
- ID: 169805
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Abstract
Clusters simulating the formation of Gd(III) stearate complex monolayers on the surface of an aqueous phase are studied by means of molecular mechanics. From a comparison of the calculated and experimental data, it concluded that Langmuir monolayers are produced by Gd(III) aqua complexes with one and two stearate anions.
About the authors
V. Yu. Buz’ko
Laboratory of the Molecular Modeling of Chemical Processes and Compounds; Kuban State University
Author for correspondence.
Email: BuzkoNMR@mail.ru
Russian Federation, Krasnodar, 350000; Krasnodar, 350040
G. Yu. Chuiko
Kuban State University
Email: BuzkoNMR@mail.ru
Russian Federation, Krasnodar, 350040
M. E. Sokolov
Kuban State University
Email: BuzkoNMR@mail.ru
Russian Federation, Krasnodar, 350040
V. T. Panyushkin
Kuban State University
Email: BuzkoNMR@mail.ru
Russian Federation, Krasnodar, 350040
