Molecular Dynamics Simulations of Hydroxyapatite Nanopores in Contact with Electrolyte Solutions: The Effect of Nanoconfinement and Solvated Ions on the Surface Reactivity and the Structural, Dynamical, and Vibrational Properties of Water

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Contributor : Thibault Lemaire <>
Submitted on : Wednesday, September 20, 2017 - 2:17:27 PM
Last modification on : Thursday, October 10, 2019 - 7:24:02 AM

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Devis Di Tommaso, M. Prakash, T. Lemaire, Marius Lewerenz, N. H. de Leeuw, et al.. Molecular Dynamics Simulations of Hydroxyapatite Nanopores in Contact with Electrolyte Solutions: The Effect of Nanoconfinement and Solvated Ions on the Surface Reactivity and the Structural, Dynamical, and Vibrational Properties of Water. Crystals, MDPI, 2017, 7 (2), pp.57. ⟨hal-01590914⟩

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