✦ LIBER ✦
Diamagnetic shielding constants of first-row atoms: Studies with a piecewise exponentially decaying electron density function
✍ Scribed by Livjeet Kaur
- Book ID
- 104580735
- Publisher
- John Wiley and Sons
- Year
- 1982
- Tongue
- English
- Weight
- 139 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
Abstract
The piecewise exponentially decaying electron density model of Wang and Parr is used to calculate the diagmagnetic shielding constants of first‐row atoms. Numerical results are presented for all first‐row atoms and comparisons are made with the results obtained from the one‐zone (i.e., single exponential) model. Results obtained from the two‐zone (i.e., piecewise exponential) model are in better agreement with the Hartree–Fock results.