Journal
JOURNAL OF NON-CRYSTALLINE SOLIDS
Volume 407, Issue -, Pages 220-227Publisher
ELSEVIER
DOI: 10.1016/j.jnoncrysol.2014.07.032
Keywords
Short range order; Structure; Liquid; Information theory
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The determination of special molecular arrangements in disordered phases such as liquids is inherently difficult due to its lack of periodicity, in contrast to the crystalline solids. We have already settled a general method to study molecular liquids capable to unveil the details of the molecular ordering from small molecules to systems as big as a protein. However it would be desirable to extract some general features of a liquid phase without going into such details. In this work we propose a method to achieve this challenge by analyzing the probability distributions describing position and orientational molecular ordering within the framework of information theory. (C) 2014 Elsevier B.V. All rights reserved.
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