Modelling in relation to cation ordering

Modelling in relation to cation ordering

We review the methodology of using computer models to obtain quantitative information about cation ordering. Empirical interactomic potentials or ab initio electronic structure calculations are used to generate the energies for many configurations containing disordered arrangements of cations, and t...

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Bibliografiske detaljer
Main Authors:	Dove, M, Bosenick, A, Myers, E, Warren, M, Redfern, S
Format:	Journal article
Sprog:	English
Udgivet:	Gordon and Breach Science Publ Inc 2000

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af: Luo, K
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Cationic polymerization and related processes/
af: Geothals, E. J.
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af: McGillivray, D, et al.
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af: Redfern, S, et al.
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af: Battle, P, et al.
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af: Salanne, M, et al.
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af: Henderson, C, et al.
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Isotopes in cationic reactions/
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The hydrolysis of cations/
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Cationic surfactants/
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af: Pazianas, M, et al.
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af: Warren, M, et al.
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Sulfur-containing cations/
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