Molecular simulation of langmuir monolayer formation by Gd(III) stearate complexes

Molecular simulation of langmuir monolayer formation by Gd(III) stearate complexes

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 an...

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Veröffentlicht in:Russian Journal of Physical Chemistry A 2017-12, Vol.91 (12), p.2409-2414
Hauptverfasser: Buz’ko, V. Yu, Chuiko, G. Yu, Sokolov, M. E., Panyushkin, V. T.
Format: Artikel
Sprache:eng
Schlagworte:
Chemistry
Chemistry and Materials Science
Monolayers
Physical Chemistry
Structure of Matter and Quantum Chemistry
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Zusammenfassung: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.
ISSN:0036-0244
1531-863X
DOI:10.1134/S0036024417120044