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Inorganic Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Ashley E. Shields

4 results in Authors: Ashley E. Shields

Theoretical and Computational Chemistry

Interaction of Hydrogen with Actinide Dioxide (011) Surfaces

James Pegg, Ashley E. Shields, Mark T. Storr, David Scanlon, Nora De Leeuw

486

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Theoretical and Computational Chemistry

Interaction of Hydrogen with Actinide Dioxide (111) Surfaces

James Pegg, Ashley E. Shields, Mark T. Storr, David Scanlon, Nora De Leeuw

711

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Inorganic Chemistry

Noncollinear Relativistic DFT+U Calculations of Actinide Dioxide Surfaces

James Pegg, Ashley E. Shields, Mark T. Storr, David Scanlon, Nora De Leeuw

647

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Inorganic Chemistry

Magnetic Structure of UO2 and NpO2 by First-Principle Methods

James Pegg, Ashley E. Shields, Mark T. Storr, Andrew S. Wills, David Scanlon, Nora De Leeuw

1,164

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ISSN 2573-2293 (Online)