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.

DOI: https://doi.org/10.1039/C1IC90021H

Abstract

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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