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Structural stability of alkaline earth oxide crystals

✍ Scribed by J. Shanker; V.K. Jain; R.S. Singh


Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
242 KB
Volume
44
Category
Article
ISSN
0038-1098

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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