Bond lengths and vibrational frequencies are calculated for the title compounds at the SCF level using various basis sets. For AIF 3, A1CI3, AIBr 3 and GaCI 3 also MP2 calculations are included. For some of these molecules, in particular for their out-of-plane vibrations, it appears that the calcula
Ab initio quantum mechanical vibrational analysis of the dimeric A2X6 molecules (A Al, Ga; X Cl, Br, I)
✍ Scribed by Martin Ystenes; Nina Westberg; Beate K. Ehrhardt
- Book ID
- 108008873
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 794 KB
- Volume
- 51
- Category
- Article
- ISSN
- 1386-1425
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