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The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the 119 Sn Absolute Shielding

✍ Scribed by Malkin, Elena; Komorovsky, Stanislav; Repisky, Michal; Demissie, Taye B.; Ruud, Kenneth


Book ID
121087354
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
328 KB
Volume
4
Category
Article
ISSN
1948-7185

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Calculations of the magnetic shielding c
✍ P. Lazzeretti; R. Zanasi πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 504 KB

## Abstract Coupled Hartree‐Fock perturbation theory has been applied to compute the nuclear magnetic shielding tensors for ^17^O, ^14^N, and ^13^C in the molecules of water, ammonia, and methane with four wave functions of increasing accuracy, expanded over basis sets of Gaussian functions. The ag