A combined DFT and molecular dynamics study of U(VI)/calcite interaction in aqueous solution

标题
A combined DFT and molecular dynamics study of U(VI)/calcite interaction in aqueous solution
作者
关键词
Uranyl, Incorporation, Adsorption, Calcite, Density functional theory, Molecular dynamics
出版物
Science Bulletin
Volume 62, Issue 15, Pages 1064-1073
出版商
Elsevier BV
发表日期
2017-07-26
DOI
10.1016/j.scib.2017.07.007

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