Please use this identifier to cite or link to this item:
|Type:||Artigo de periódico|
|Title:||Computer Modelling Of Solid Alkali Metal Carboxylates|
|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|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.