Ab Initio studies of the nitrogen-nitrogen spin-spin coupling constants of hydrazine and protonated hydrazines
β Scribed by Jerome M Schulman; Wellington S Lee
- Publisher
- Elsevier Science
- Year
- 1982
- Weight
- 174 KB
- Volume
- 50
- Category
- Article
- ISSN
- 0022-2364
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## 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
Ab initio calculations of the orbital diamagnetic contrrbutions to nuclear spin-spin coupling constants in the first-and second-row hydrides have been performed. The gaussian basis set dependence of this property has been studied and the effects of electron correlation have been investigated\_ The i