The chemical shift anisotropy and the isotropic magnetic shielding constant of the hydrogen nuclei in the (H,O),. (H20)3, (H,O), and H,O systems have been calculated using ab initio quantum-mechanical techniques. The results show that secondary hydrogen bonding has a significant effect on these two
A theoretical ab initio and experimental NMR study of the secondary one-bond isotope effect on the nuclear magnetic shielding of carbon dioxide and carbon disulfide
✍ Scribed by YrjÖ Hiltunen
- Publisher
- Elsevier Science
- Year
- 1991
- Weight
- 258 KB
- Volume
- 92
- Category
- Article
- ISSN
- 0022-2364
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