Ab initio calculation of equilibrium geo
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M.B. Huang; S. Lunell; A. Lund
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Article
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1983
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Elsevier Science
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English
β 439 KB
The equilibrium geometry and hyperfime coupling constants of the cyclopentane cation have been calculated by the UHF method, within the ab initio MO LCAO SCF approximation. A non-planar carbon framework of Cs symmetry was found with one carbon atom out of the &me of the others. The geometry and the