SCHEDULED MAINTENANCE
The relationship between the results of computer simulations and experiment is discussed. Particular attention is paid to the problems involved in extending the use of such calculations from the dilute limit to grossly non-stoichiometric solids. A variety of methods for treating such cases is briefly reviewed, with particular reference to the cases of UO2+x and (U, Pu)O2–x.
J. H. Harding, J. Chem. Soc., Faraday Trans. 2, 1987, 83, 1177 DOI: 10.1039/F29878301177
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