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
β¦ LIBER β¦
Self-Consistent Perturbation Theory. II. Nuclear-Spin Coupling Constants
β Scribed by Pople, J. A.
- Book ID
- 120661824
- Publisher
- American Institute of Physics
- Year
- 1968
- Tongue
- English
- Weight
- 733 KB
- Volume
- 49
- Category
- Article
- ISSN
- 0021-9606
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