A New ab-Initio Approach for NMR Chemical Shifts in Periodic Systems
Author:
Affiliation:
1. Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp002807j
Reference31 articles.
1. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants
2. Molecular Orbital Theory of Magnetic Shielding and Magnetic Susceptibility
3. Theory of Magnetic Susceptibilities and NMR Chemical Shifts in Terms of Localized Quantities
4. Calculation of magnetic response properties using a continuous set of gauge transformations
5. Magnetic Susceptibility of Insulators from First Principles
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