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

Article ID	Journal	Published Year	Pages	File Type
5788564	Science Bulletin	2017	26 Pages	PDF

Keywords

Incorporation Uranyl Adsorption Molecular dynamics Density functional theory Calcite

Related Topics

Physical Sciences and Engineering Chemistry Chemistry (General)

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

Authors

Jian-Hui Lan, Zhi-Fang Chai, Wei-Qun Shi,