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Type: Artigo de periódico
Title: Computer Modelling Of Solid Alkali Metal Carboxylates
Author: Barreto L.S.
Mort K.A.
Jackson R.A.
Alves O.L.
Abstract: A computational study of solid lithium acetate dihydrate and anhydrous sodium acetate is presented. Interatomic potentials are obtained by empirical fitting to experimental structural data for both materials and the resulting potentials were found to be transferable to different phases of the same materials, giving good agreement with the experimental structure.
Editor: IOP, Bristol, United Kingdom
Rights: fechado
Identifier DOI: 10.1088/0953-8984/12/45/302
Date Issue: 2000
Appears in Collections:Unicamp - Artigos e Outros Documentos

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