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Valence-bond studies of alkaline earth oxides: BeO and MgO

✍ Scribed by Robert G.A.R. Maclagan

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
341 KB
Volume
82
Category
Article
ISSN
0009-2614

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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