DFT calculation of NMR JFF spin-spin coupling constants in fluorinated pyridines
All four isotropic contributions to the NMR fluorine-fluorine coupling constants (Fermi contact, FC, spin-dipolar, SD, paramagnetic spin-orbit, PSO, and diamagnetic spin-orbit, DSO) have been calculated for 2,6-difluoropyridine, 2,4,6-trifluoropyridine, perfluoropyridine, and 2-Br-3,4,5,6,7,8-hexafl...
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| Autores principales: | Barone, V., Peralta, J.E., Contreras, R.H., Snyder, J.P. |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_10895639_v106_n23_p5607_Barone |
| Aporte de: |
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