Calculations of spin-spin coupling constants in aromatic nitrogen heterocyclics
β Scribed by S.A.T Long; J.D Memory
- Publisher
- Elsevier Science
- Year
- 1981
- Weight
- 274 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0022-2364
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π SIMILAR VOLUMES
## Abstract INDO parameterized calculations of ^n^__J__(^19^F^15^N) are reported where __n__=1, 2, 3, 4 and 5. The calculations are performed within the sumβoverβstates perturbation and selfβconsistent perturbation frameworks. In general, satisfactory agreement between both sets of calculated resul
## Abstract MO calculations based on the finite perturbation theory in the INDO approximation have been carried out on selenophene, eighteen of its monosubstituted derivatives and benzo (b)selenophene. The calculated nuclear spin coupling constants satisfactorily reproduce signs, magnitudes, intern