Buckeridge, J, Scanlon, D. O., Walsh, A and Catlow, Charles ORCID: https://orcid.org/0000-0002-1341-1541 2014. Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds. Computer Physics Communications 185 (1) , pp. 330-338. 10.1016/j.cpc.2013.08.026 |
Official URL: http://dx.doi.org/10.1016/j.cpc.2013.08.026
Item Type: | Article |
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Date Type: | Publication |
Status: | Published |
Schools: | Chemistry |
Subjects: | Q Science > QD Chemistry |
Additional Information: | First available online 9 September 2013 |
Publisher: | Elsevier |
ISSN: | 0010-4655 |
Date of Acceptance: | 28 August 2013 |
Last Modified: | 31 Oct 2022 10:10 |
URI: | https://orca.cardiff.ac.uk/id/eprint/83926 |
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