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Bond energy and elastic modulus for alkali metals

โœ Scribed by V. F. Konusov; E. A. Bogemskaya


Book ID
112416402
Publisher
Springer
Year
1967
Tongue
English
Weight
283 KB
Volume
8
Category
Article
ISSN
1573-9228

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Theoretical determination of the alkali-
โœ Harry Partridge; Charles W. Bauschlicher Jr.; Mariona Sodupe; Stephen R. Langhof ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 459 KB

The bond dissociation energies for the alkali-metal superoxides have been computed using extensive Gaussian basis sets and treating electron correlation at the modified coupled-pair functional level. Our computed Do values are 61.4, 37.2, 40.6, and 38.4 kcal/mol for LiO2, NaO2, KO2, and RbO2, respec