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A comparison of models for calculating nuclear magnetic resonance shielding tensors

โœ Scribed by Cheeseman, James R.; Trucks, Gary W.; Keith, Todd A.; Frisch, Michael J.


Book ID
120160068
Publisher
American Institute of Physics
Year
1996
Tongue
English
Weight
480 KB
Volume
104
Category
Article
ISSN
0021-9606

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Iglo calculations of the antisymmetric c
โœ Julio C. Facelli; Anita M. Orendt; David M. Grant; Josef Michl ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 232 KB

Calculations of the antisymmetric components of 13C shielding tensors have been performed in several compounds using the IGLO (individual gauge for localized orbitals) method. The results indicate chemical situations in which the detection of the antisymmetric components should be easier than in the