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Effects of translational and rotational degrees of freedom on the properties of model water

Molecular dynamics simulations with separate thermostats for rotational and translational motions were used to study the effects of these degrees of freedom on the structure of water at a fixed density. To describe water molecules, we used the SPC/E model. The results indicate that an increase of th...

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Bibliographic Details
Main Authors: Mohorič, T., Hribar-Lee, B., Vlachy, V.
Format: Article
Language:English
Published: Інститут фізики конденсованих систем НАН України 2015
Series:Condensed Matter Physics
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/153525
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