The variation-perturbation method, employing an explicitly correlated basis set in the form of Gaussian functions with exponential correlation factors, has been used to calculate the paramagnelic component of the nuclear magnetic shielding and the electronic contribution to the spin-rotation constan
The nuclear magnetic shielding constants of formamide: the contribution of the non-tightly bound water molecules of the “first hydration shell”
✍ Scribed by C. Giessner-Prettre; A. Pullman
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 254 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0009-2614
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