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A Variational Method for Calculating Magnetic Shielding Constants in Molecules

✍ Scribed by Stephen, M. J.


Book ID
120144790
Publisher
The Royal Society
Year
1957
Tongue
English
Weight
607 KB
Volume
243
Category
Article
ISSN
0962-8444

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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