Integrals of the paramagnetic contribution in the relativistic calculation of the shielding tensor
β Scribed by Hassan Safouhi
- Book ID
- 106419849
- Publisher
- Springer
- Year
- 2010
- Tongue
- English
- Weight
- 225 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0259-9791
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π SIMILAR VOLUMES
The nuclear magnetic shielding tensor and the spin-rotation constant of the hydrogen molecule have been studied at the full configuration interaction level using a sequence of systematically enlarged basis sets which allow extrapolation to the basis set limit. The computed and experimental values fo
Calculations of the antisymmetric components of 13C shielding tensors have been performed in several compounds using the IGLO (individual gauge for localized orbitals) method. The results indicate chemical situations in which the detection of the antisymmetric components should be easier than in the