PBC data for Oxygen Vacancy Formation and Water Adsorption on Reduced AnO2 {111}, {110} and {100} Surfaces (An = U, Pu); A Computational Study

Published: 23 Feb 2018 | Version 1 | DOI: 10.17632/bf733y65yh.1
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Description of this data

Periodic boundary condition DFT data for "Oxygen Vacancy Formation and Water Adsorption on Reduced AnO2 {111}, {110} and {100} Surfaces (An = U, Pu); A Computational Study"

Experiment data files

Latest version

  • Version 1

    2018-02-23

    Published: 2018-02-23

    DOI: 10.17632/bf733y65yh.1

    Cite this dataset

    Kaltsoyannis, Nikolas (2018), “PBC data for Oxygen Vacancy Formation and Water Adsorption on Reduced AnO2 {111}, {110} and {100} Surfaces (An = U, Pu); A Computational Study”, Mendeley Data, v1 http://dx.doi.org/10.17632/bf733y65yh.1

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Institutions

The University of Manchester

Categories

Chemistry

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