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Calculation of NMR chemical shifts. IV. Hydronium and hydroxyl ions

✍ Scribed by Fukui, H.; Miura, K.; Tada, F.


Book ID
115311494
Publisher
American Institute of Physics
Year
1983
Tongue
English
Weight
467 KB
Volume
79
Category
Article
ISSN
0021-9606

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Calculation of NMR chemical shifts. III.
✍ H. Fukui πŸ“‚ Article πŸ“… 1983 πŸ› John Wiley and Sons 🌐 English βš– 226 KB

## Abstract The theory for nuclear shielding including electron correlation effect is derived and applied to the hydrogen fluoride molecule. It is shown that about 20% of the paramagnetic contribution to nuclear shielding at nucleus F is due to electron correlation. Inclusion of electron correlatio