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Isobaric-isothermal molecular dynamics computer simulations of the properties of water-1,2-dimethoxyethane model mixtures

Isothermal-isobaric molecular dynamics simulations have been performed to examine a broad set of properties of the model water-1,2-dimethoxyethane (DME) mixture as a function of composition. The SPC-E and TIP4PEw water models and the modified TraPPE model for DME were applied. Our principal focus w...

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Bibliographic Details
Published in:	Condensed Matter Physics
Date:	2017
Main Authors:	Gujt, J., Dominguez, H., Sokolowski, S., Pizio, O.
Format:	Article
Language:	English
Published:	Інститут фізики конденсованих систем НАН України 2017
Online Access:	https://nasplib.isofts.kiev.ua/handle/123456789/157010
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Journal Title:	Digital Library of Periodicals of National Academy of Sciences of Ukraine
Cite this:	Isobaric-isothermal molecular dynamics computer simulations of the properties of water-1,2-dimethoxyethane model mixtures / J. Gujt, H. Dominguez, S. Sokolowski, O. Pizio // Condensed Matter Physics. — 2017. — Т. 20, № 3. — С. 33603: 1–14. — Бібліогр.: 66 назв. — англ.

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