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Influence of the mechanical treatment on the structure and the thermal stability of alkaline-earth carbonates

✍ Scribed by J. M. Criado; M. J. Diánez; J. Morales

Book ID
111590644
Publisher
Springer
Year
2004
Tongue
English
Weight
191 KB
Volume
39
Category
Article
ISSN
0022-2461

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We report a detailed computationally study of the stability of the alkaline earth metal peroxides MO 2 (M ‫؍‬ Ba, Sr, Ca, Mg, Be) with respect to decomposition into the corresponding oxides MO and molecular oxygen using Hartree-Fock and density functional theory (DFT) techniques. A comparison betwee