Data for: Uranium separation from acid mine drainage using anionic resins - An experimental/theoretical investigation of its chemical speciation and the interaction mechanism
Published: 8 December 2018| Version 1 | DOI: 10.17632/n99chz5kvg.1
Contributors:
Hélio Duarte,
,
,
,
Description
DFT calculations using different chemical models for the interaction between uranyl sulfate chemical species and the chemical models of the resins. Cartesian coordinates and vibrational frequencies are provided.
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Categories
Density Functional Theory