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. ORCID: https://orcid.org/0000-0002-8271-0545 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:	30 Nov 2024 13:00
URI:	https://orca.cardiff.ac.uk/id/eprint/119176

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