Computational modelling of inorganic solids

Moore, Elaine (2011). Computational modelling of inorganic solids. Annual Reports on the Progress of Chemistry, Section A: Inorganic Chemistry, 107 pp. 459–472.



This report covers papers published in 2010 dealing with the application of computational techniques to inorganic solids. It deals mainly with continuous solids that are ionic in nature; work on metals, MOFs and surfaces is excluded. Special attention is given to solids used in solid oxide fuel cells, multiferroics, iron-based superconductors, nanostructures and systems relevant to biominerals and earth science.

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