Pople Style Basis Sets for the Calculation of NMR Spin–Spin Coupling Constants: the 6-31G-J and 6-311G-J Basis Sets
Author:
Affiliation:
1. Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen Ø, Denmark
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct200546q
Reference54 articles.
1. Application of Many‐Body Perturbation Theory to the Hydrogen Molecule
2. Finite perturbation–configuration interaction calculations of nuclear spin–spin coupling constants. I. The first row hydrides and the hydrogen molecule
3. Nuclear spin-spin coupling constant of hydrogen molecule with deuterium (HD)
4. Basis-set dependence of nuclear spin-spin coupling constants
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