Molecular orbital theory: diagramatic representation of the contribution of the magnetic anisotropy effect on the magnetic shielding constant
โ Scribed by M.B. Ferraro; R.H. Contreras
- Book ID
- 113256968
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 275 KB
- Volume
- 210
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
A calculational method is proposed for the spin--orbit effect on the magnetic shielding constant using ab initio UHF wavefunctions and the finite perturbation method. The method is applied to the 'H and ~3C magnetic shielding constants of hydrogen halides and methyl halides, respectively. When the s
The ll9Sn NMR chemical shifts of SnX 4 (X = H, CI, Br and I) and SnBr4\_~I n (n = 1, 2, 3) are calculated by the ab initio UHF method including the spin-orbit (SO) interaction combined with the finite perturbation method. The calculated Sn chemical shifts are in good agreement with experiment when t