Calculation of the nuclear spin–spin coupling constants. V. Configuration interaction calculation of σ‐ and π‐electron contributions
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.454403
Reference29 articles.
1. Calculation of the nuclear spin-spin coupling constants. 3. .sigma.- and .pi.-Electron contributions in some simple unsaturated hydrocarbons
2. Calculation of the nuclear spin–spin coupling constants. IV. π‐electron contributions
3. Nuclear Spin Coupling Between Geminal Hydrogen Atoms
4. Coupled hartree-fock and second order polarization propagator calculations of indirect nuclear spin-spin coupling constants for diatomic molecules
5. Finite perturbation–configuration interaction calculations of nuclear spin–spin coupling constants. I. The first row hydrides and the hydrogen molecule
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1. Angular dependence of spin–spin coupling constants;Progress in Nuclear Magnetic Resonance Spectroscopy;2000-11-27
2. Nuclear spin–spin coupling in the acetylene isotopomers calculated fromab initiocorrelated surfaces for 1J(C, H), 1J(C, C), 2J(C, H), and 3J(H, H);The Journal of Chemical Physics;2000-02-22
3. One-Bond 13C-13C Spin-Spin Coupling Constants;Annual Reports on NMR Spectroscopy;1995
4. Accurateab initiocarbon-proton and proton-proton spin-spin coupling surfaces for the methane molecule;Molecular Physics;1994-05
5. Advances in Theoretical and Physical Aspects of Spin-Spin Coupling Constants;Annual Reports on NMR Spectroscopy;1993
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