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Calculation of the 13C NMR shieldings of the C02 complexes of aluminosilicates

✍ Scribed by J.A. Tossell


Book ID
118887074
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
667 KB
Volume
59
Category
Article
ISSN
0016-7037

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πŸ“œ SIMILAR VOLUMES


Ab initio calculation of 1H and 13C NMR
✍ Magdalena Pecul; Karol Jackowski; Krzysztof Wozniak; Joanna Sadlej πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 English βš– 102 KB

## Ε½ . Ε½ . The gauge-independent atomic orbital GIAO method has been used within the coupled Hartree-Fock CHF approximation to compute 1 H and 13 C NMR shielding constants for solid acetylene. As the amount of surrounding crystal lattice is increased, the shielding anisotropy of the carbon nuclei