From bond strength to charge distribution: modern developments of the empirical analysis of crystal structures
Author:
Affiliation:
1. Université de Lorraine, CNRS , CRM2 , Nancy , France
Abstract
Publisher
Walter de Gruyter GmbH
Subject
General Physics and Astronomy,General Materials Science,General Chemistry
Link
https://www.degruyter.com/document/doi/10.1515/psr-2019-0074/pdf
Reference66 articles.
1. Jacucci, G., Quirke, N. Free energy calculations for crystals. In: Catlow, C.R.A., Mackrodt, W.C., editors. Computer simulation of solids. Lecture notes in physics, vol 166. Berlin, Heidelberg: Springer; 1984.
2. Vasileiadis, M. Calculation of the free energy of crystalline solids. [Ph.D. thesis]. London: Imperial College; 2013:xii+202 p.
3. Burns, RG. Mineralogical Applications of Crystal Field Theory, 2nd ed. Cambridge: Cambridge University Press; 1993: xxiv+551 p.
4. Hoppe, R. Madelung constants as a new guide to the structural chemistry of solids. Adv Fluor Chem 1970;6:387–438.
5. Hoppe, R. On the madelung part of lattice energy. New pathways to use it as a tool in solid state chemistry (part 1). Z Naturforsch 1995;50:555–67. https://doi.org/10.1515/zna-1995-0607.
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