Nuclear spin coupling constants are calculated using approximate SCF wavehmctions and a finite perturbation method. The results reproduce many of the experimental features and trends of coupIing constants for carbon and hydrogen. We are developing a simple theoretical method
โฆ LIBER โฆ
On perturbation series for large coupling constants
โ Scribed by Hans-Christian Pauli
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 469 KB
- Volume
- 369
- Category
- Article
- ISSN
- 0375-9474
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## Abstract One bond ^13^C,^13^C coupling constants have been calculated for some methylcycloalkanes, as well as for 2โmethylbutane, using the selfโconsistent perturbation theory as formulated by Blizzard and Santry at the INDO (intermediate neglect of differential overlap) level of approximation.