CNDO calculations of rearrangements in the C3H7+ series
β Scribed by H. Kollmar; H.O. Smith
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- French
- Weight
- 216 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0040-4039
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π SIMILAR VOLUMES
It is shown that in contradiction to results obtained with the CND0/2 method the NDDO method is successful in accounting for the effect of nitrogen lone pairs on the stability of n-delocalized and a-localized carbanions derived from various azabenzenes.
## Abstract An approximate procedure for the calculation of diamagnetic shielding in molecules is presented. The method proposed is based on the βcomplete neglect of differential overlapβ (CNDO) molecular wave functions and is formulated according to the zero differential overlap (ZDO) approximatio