Computational modelling of inorganic solids

Moore, Elaine Ann (2012). Computational modelling of inorganic solids. Annual Reports on the Progress of Chemistry, Section A: Inorganic Chemistry, 108(1) pp. 449–463.

DOI: https://doi.org/10.1039/c2ic90015g

Abstract

This report covers papers published in 2011 dealing with the application of computational techniques to inorganic solids. It deals mainly with continuous solids that are ionic in nature; work on metals and MOFs is excluded. Special attention is given to solids used in solid oxide fuel cells, iron-based superconductors, zeolites and systems of interest to the life and earth sciences. Relevant advances in computational methods are also covered.

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About

• Item ORO ID
• 34068
• Item Type
• Journal Item
• ISSN
• 1460-4760
• Academic Unit or School
• Faculty of Science, Technology, Engineering and Mathematics (STEM) > Life, Health and Chemical Sciences
  Faculty of Science, Technology, Engineering and Mathematics (STEM)
• Copyright Holders
• © 2012 The Royal Society of Chemistry
• Depositing User
• Elaine Moore