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Ab initio study of dititanium endofullerenes: D5d- and D5h-Ti2@C80

โœ Scribed by A.N. Enyashin; Yu.N. Makurin; A.L. Ivanovskii


Book ID
116374341
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
264 KB
Volume
36
Category
Article
ISSN
0927-0256

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Extended ab Initio Study of the Vibratio
โœ W.P. Kraemer; V. Spirko; O. Bludsky ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 461 KB

The full nine-dimensional vibrational problem of the \(\mathbf{H}_{s}^{+}\)complex is investigated: (i) using a model Hamiltonian which is based on the approximation that apart from the energy barrier for the internal propeller-like rotation motion all the other barriers on the potential energy hype