CNDO-MO calculation of NnFm molecules
β Scribed by Cheng Chen
- Publisher
- John Wiley and Sons
- Year
- 1980
- Tongue
- English
- Weight
- 250 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0020-7608
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π SIMILAR VOLUMES
## 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
## Abstract We present the results obtained within the CNDO/2 method for the diamagnetic susceptibilities of a series of conjugated molecules including benzene, fulvene, pyridine, pyrrole, and furan. The calculations have been carried out, according to Bley's method, in the framework of coupled Har