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Calculation of the diamagnetic shielding of the nuclei by the point-charge approximation

✍ Scribed by Zvonimir B. Maksić; Krešimir Rupnik


Publisher
Springer
Year
1983
Tongue
English
Weight
207 KB
Volume
62
Category
Article
ISSN
1432-2234

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✍ P. Lazzeretti; R. Zanasi 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 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