A recently developed perturbation theory for solving self-consistent field equations is applied to the hydrogen atom in a strong magnetic field. This system has been extensively studied using other methods and is therefore a good test case for the new method. The perturbation theory yields summable
Self-consistent Perturbation Theory of 13C magnetic resonance parameters in pyridines
β Scribed by Vinicio Galasso
- Book ID
- 118285286
- Publisher
- John Wiley and Sons
- Year
- 1979
- Tongue
- English
- Weight
- 372 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0749-1581
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π SIMILAR VOLUMES
## Abstract One bond ^13^C,^13^C coupling constants have been calculated for some methylcycloalkanes, as well as for 2βmethylbutane, using the selfβconsistent perturbation theory as formulated by Blizzard and Santry at the INDO (intermediate neglect of differential overlap) level of approximation.
The rmg proton-proton couplmg constants of thlophene and 14 monosubstltuted derrvatwes have been calculated usmg the perturbed SCF INDO method The results reproduce satlsfactorlly signs, magmtudes and some trends of the experunental values, but the mternal order of long-range constants In the 3-subs