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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| Format: | Article |
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American Chemical Society (ACS)
2019
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| Online Access: | http://hdl.handle.net/1721.1/120319 https://orcid.org/0000-0002-7589-1499 https://orcid.org/0000-0002-0934-4737 |