## Abstract Nuclear screening tensors, their anisotropies and ^13^C chemical shifts are calculated for a number of carbon environments and compared with the corresponding experimental data. The agreement found with the experimental results is an improvement over that obtained from CNDO/S parameteri
Some INDO/S parameterized calculations of nitrogen and oxygen screening constants
β Scribed by M Jallali-Heravi; G.A Webb
- Publisher
- Elsevier Science
- Year
- 1978
- Weight
- 561 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0022-2364
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Some nitrogen screening constants and their anisotropies are calculated within the CNDO/S level of approximation. Satisfactory agreement is found with available experimental data in most cases. In general the reported results are in closer agreement with experiment than are those found from ab initi
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