On the basis of the four-current density functional formalism. a method to calculate chemical shifts is developed, allowing the use of Xa wavefunctions in computations of magnetic properties of molecules First results of calculated nuclear magnetrc shielding constants and diamagnetic susceptibilitie
✦ LIBER ✦
Nuclear magnetic shielding in molecules. The application of GIAO's in LCAO-Xα-calculations
✍ Scribed by K. Friedrich; G. Seifert; G. Großmann
- Book ID
- 105198249
- Publisher
- Springer
- Year
- 1990
- Tongue
- English
- Weight
- 197 KB
- Volume
- 17
- Category
- Article
- ISSN
- 1434-6060
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