Paper Title:
Inorganic Structure Prediction: Too much and not Enough
  Abstract

Elementary to sophisticated approaches allow for crystal structure prediction from empirical and theoretical principles since a few decades. Some recent efforts in inorganic chemistry for the production and classification of structure-candidates are described. The discussion is focused on an incredibly huge list of hypothetical zeolites, more modest series of aluminum fluoride polymorphs, or titanosilicates (etc) build up from the exploration of a special topological class, the N-connected 3D frameworks.

  Info
Periodical
Solid State Phenomena (Volume 130)
Edited by
Danuta Stróż & Małgorzata Karolus
Pages
1-6
DOI
10.4028/www.scientific.net/SSP.130.1
Citation
A. Le Bail, "Inorganic Structure Prediction: Too much and not Enough", Solid State Phenomena, Vol. 130, pp. 1-6, 2007
Online since
December 2007
Authors
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$32.00
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