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. 2018 Aug 28;23(9):2170. doi: 10.3390/molecules23092170

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© 2018 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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(a) Decomposition of $〈 Δ E (P_{i}) 〉$ into various energy components. The inset shows the van der Waals and electrostatic components in greater detail. (b) The distribution of O-H bond as functions of $P_{i}$ . The average is indicated by the dashed curve. (c) Same as (b), but for H-O-H angle.