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 structures and potential energy surfaces of the BeAlF5 and MgAlF5 complexes
β Scribed by L.A. Curtiss; A. Heinricher
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 374 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0009-2614
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