Data for: Uranium separation from acid mine drainage using anionic resins - An experimental/theoretical investigation of its chemical speciation and the interaction mechanism

Name: Data for: Uranium separation from acid mine drainage using anionic resins - An experimental/theoretical investigation of its chemical speciation and the interaction mechanism
Creator: Hélio Duarte
Published: 2018-12-08T16:33:05.127Z
Keywords: Density Functional Theory

Duarte, Hélio; Abreu, Heitor; Bertoli, Alexandre; Quintao, Matheus; Ladeira, Ana Claudia

doi:10.17632/n99chz5kvg.1

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, Heitor Abreu, Alexandre Bertoli, Matheus Quintao, Ana Claudia Ladeira

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.

Data for: Uranium separation from acid mine drainage using anionic resins - An experimental/theoretical investigation of its chemical speciation and the interaction mechanism

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