Ab initio scaled quantum mechanical vibrational analyses have been performed for the title molecules with extended basis sets at the SCF level. A D2h-symmetric double bridged geometry is optimized, and the calculated frequencies fit literature IR data and verify the calculated structures, although n
β¦ LIBER β¦
Ab initio study on the Be2F4, Mg2F4 dimers, on the mixed dimers BeMgF4 and LiNaF2 and on the Li2BeF4, LiBCl4 and LiAlCl4 ion-pairs
β Scribed by F. Ramondo; L. Bencivenni; M. Spoliti
- Book ID
- 113257746
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 1015 KB
- Volume
- 277
- Category
- Article
- ISSN
- 0166-1280
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