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Configuration interaction calculations on the dinegative ion of coronene

✍ Scribed by Annemarie Haupt; G. J. Hoytink

Publisher
Springer
Year
1969
Tongue
English
Weight
156 KB
Volume
14
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

The influence of ionic association on th
The influence of ionic association on the ground state of the coronene dinegative ion
✍ M. Glasbeek; A.J.W. Visser; G.A. Maas; J.D.W. Van Voorst; G.J. Hoytink πŸ“‚ Article πŸ“… 1968 πŸ› Elsevier Science 🌐 English βš– 222 KB

The coronene dinegative ion has a singlet ground state lAl= when it is associated with the alkali counterions. The experiments strongly suggest that the free dinestive ion has a triplet ground state 3A2g.

INDO calculations on the [Be3O(HCO2)3]+
INDO calculations on the [Be3O(HCO2)3]+ ion configuration
✍ Viktor A. Sipachev; Igor' P. Gloriozov πŸ“‚ Article πŸ“… 1979 πŸ› John Wiley and Sons 🌐 English βš– 188 KB

## SCF-MO-LCAO-INDO cdculaΓΌons show that the total energy of the [Be30(HCOz)3]' ion, which iS the base peak in the mass spectra of the beryllium p4-oxoformato compiex, depends on Γ­he deviation of the ion eonfiguration fmm p l d t y . The planar form is shown to have the lowest energy. The results