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Noncollinear relativistic DFT + U calculations of actinide dioxide surfaces

Pegg, James T., Shields, Ashley E., Storr, Mark T., Scanlon, David O. and De Leeuw, Nora H. 2019. Noncollinear relativistic DFT + U calculations of actinide dioxide surfaces. Journal of Physical Chemistry C 123 (1) , pp. 356-366. 10.1021/acs.jpcc.8b07823

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Item Type: Article
Date Type: Publication
Status: Published
Schools: Cardiff Catalysis Institute (CCI)
Chemistry
Publisher: ACS Publications
ISSN: 1932-7447
Date of First Compliant Deposit: 4 February 2019
Date of Acceptance: 6 December 2018
Last Modified: 06 Dec 2019 03:25
URI: http://orca.cf.ac.uk/id/eprint/119176

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