Car-Parrinello molecular dynamics study of the uranyl behaviour at the gibbsite/water interface
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4758935
Reference62 articles.
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1. Theoretical insights into the coordination structures, stabilities and electronic spectra of Cm3+ species at the gibbsite-water interface: A computational study combing ab initio molecular dynamics and wave function theory;Journal of Colloid and Interface Science;2023-06
2. Adsorption and diffusion of actinyls on the basal gibbsite (001) surface: a theoretical perspective;Physical Chemistry Chemical Physics;2023
3. Elucidation of the structures of aluminate ions during the dissolution of gibbsite in choline and verification of hydrated ion model;Chemical Physics Letters;2021-05
4. Cluster approach to the prediction of thermodynamic and transport properties of ionic liquids;The Journal of Chemical Physics;2018-05-21
5. A combined DFT and molecular dynamics study of U(VI)/calcite interaction in aqueous solution;Science Bulletin;2017-08
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