Molecular simulation of langmuir monolayer formation by Gd(III) stearate complexes
- Autores: Buz’ko V.Y.1,2, Chuiko G.Y.2, Sokolov M.E.2, Panyushkin V.T.2
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Afiliações:
- Laboratory of the Molecular Modeling of Chemical Processes and Compounds
- Kuban State University
- Edição: Volume 91, Nº 12 (2017)
- Páginas: 2409-2414
- Seção: Structure of Matter and Quantum Chemistry
- URL: https://bakhtiniada.ru/0036-0244/article/view/169805
- DOI: https://doi.org/10.1134/S0036024417120044
- ID: 169805
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Resumo
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.
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Sobre autores
V. Buz’ko
Laboratory of the Molecular Modeling of Chemical Processes and Compounds; Kuban State University
Autor responsável pela correspondência
Email: BuzkoNMR@mail.ru
Rússia, Krasnodar, 350000; Krasnodar, 350040
G. Chuiko
Kuban State University
Email: BuzkoNMR@mail.ru
Rússia, Krasnodar, 350040
M. Sokolov
Kuban State University
Email: BuzkoNMR@mail.ru
Rússia, Krasnodar, 350040
V. Panyushkin
Kuban State University
Email: BuzkoNMR@mail.ru
Rússia, Krasnodar, 350040
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