Characterizing Hydration Properties Based on the Orientational Structure of Interfacial Water Molecules

In this work, we present a general computational method for characterizing the molecular structure of liquid water interfaces as sampled from atomistic simulations. With this method, the interfacial structure is quantified based on the statistical analysis of the orientational configurations of inte...

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Bibliographic Details
Main Authors: Shin, Sucheol (Contributor), Willard, Adam P. (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Chemistry (Contributor)
Format: Article
Language:English
Published: American Chemical Society (ACS), 2019-02-11T16:16:04Z.
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