Fermi contact coupling

Fig. 3 demonstrates partially relaxed atomic structure of the C33H3q[NV] clusters and distribution of isotropic Fermi contact coupling (IFCC) in it, calculated within DFT with 6-3IG basis set. In our previous calculations [8,9], it was shown that the spin density is located mainly at the three C atoms, which are the nearest neighbors to the vacancy of the NV -center. 

Atom Phenoxyl radical Isotropic Fermi Contact Couplings Phenol radical cation 21 Isotropic Fermi Contact Couplings... 

The Fermi Contact Coupling Mechanism Gauge-Invariant Atomic Orbitals (GIAOs) (4<1))... 

Fermi contact coupling mechanism between two protons through a single bond (the coupling constant Jab denoted as Jhh)- The proton and the electron close to it prefer to have opposite spins. Fig. 12.17. Then the other electron of the bond (being closer to the other nucleus) shows the other nucleus the spin of first nucleus, so the second nucleus prefers to have the opposite... 

The Fermi-contact coupling density, Eq. (7.57), for vicinal protons in the eclipsed and staggered conformations of ethane is shown in Fig. 7.45. Analogous... 

The isotropic (Fermi contact) coupling constant is defined in terms of the unpaired spin density at a nucleus ... 

Fermi-contact coupling. The through-bond coupling between the average electron spin and a nuclear spin 7 has a rank-0, isotropic component A (hyperfine Fermi constant) which is proportional to the spin density in the i orbital of the atom carrying the I spin ... 

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