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Volume 117, 2019 - Issue 22: Learning from Disorder – A Tribute to Alan Soper

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Water and Aqueous Solutions

Classical and path-integral molecular-dynamics study on liquid water and ice melting using non-empirical TTM2.1-F model

Xue YongDepartment of Physics and Engineering Physics, University of Saskatchewan, Saskatoon, Canada

Christian J. BurnhamSchool of Chemical and Bioprocess Engineering, University College Dublin, Dublin, Ireland

Niall J. EnglishSchool of Chemical and Bioprocess Engineering, University College Dublin, Dublin, Ireland

John S. TseDepartment of Physics and Engineering Physics, University of Saskatchewan, Saskatoon, CanadaCorrespondence[email protected]

Pages 3241-3253 | Received 01 Mar 2019, Accepted 27 Jul 2019, Published online: 16 Aug 2019

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https://doi.org/10.1080/00268976.2019.1652774
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Classical and path-integral molecular-dynamics study on liquid water and ice melting using non-empirical TTM2.1-F model

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