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CNDO calculations of rearrangements in the C3H7+ series

✍ 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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✍ Andrzej J. Sadlej πŸ“‚ Article πŸ“… 1970 πŸ› John Wiley and Sons 🌐 English βš– 372 KB

## Abstract An approximate procedure for the calculation of diamagnetic shielding in molecules is presented. The method proposed is based on the β€˜complete neglect of differential overlap’ (CNDO) molecular wave functions and is formulated according to the zero differential overlap (ZDO) approximatio