Ab initio moIecular orbital cakulations ha\e been carried out on various structures of the LiAlF4 complex using minimal and extended basis sets. A C2v structure u ith two fluorines in the bridge was found to be more stable than structures with one and three fluorines in the bridge\_ Migration of the
Ab Initio Molecular Orbital Studies of the Structure and Stability of the BeAl2F8 Complex
✍ Scribed by L. A. Curtiss; A. Heinricher
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 343 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0020-7608
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