Four semiempirical methods (AM1, MNDO, PM3, and MIND0/3) are used to calculate the deformation angles of [n]paracyclophanes and their Dewar benzene isomers for n = 3 . . . 10. The results obtained by all these methods are in good agreement with data from X-ray studies. We have determined the strain
Ab initiostudy of the stability of [n]paracyclophanes and their Dewar benzene-type isomers
β Scribed by Malte von Arnim; Sigrid D. Peyerimhoff
- Publisher
- Springer
- Year
- 1993
- Tongue
- English
- Weight
- 911 KB
- Volume
- 85
- Category
- Article
- ISSN
- 1432-2234
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