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Density-Functional Study of (Solvated) Grignard Complexes

โœ Scribed by Andreas W. Ehlers; Gerard P. M. van Klink; Maurice J. van Eis; Friedrich Bickelhaupt; Paul H. J. Nederkoorn; Koop Lammertsma


Book ID
106240673
Publisher
Springer-Verlag
Year
2000
Tongue
English
Weight
203 KB
Volume
6
Category
Article
ISSN
1610-2940

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โœ Vicens, Marie C.; L๏ฟฝpez, Gustavo E. ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 240 KB ๐Ÿ‘ 1 views

By using density functional ab initio techniques the equilibrium structure, binding energy, and electronic distribution were determined for [X(H 2 O) n ] +k . Specifically, when X = H, Li, and Na, k = +1 and when k = +2, X = Be and Mg. In all cases the number of water molecules varies from one throu