A theoretical and experimental study of the electric field and magnetic anisotropy effects on proton chemical shifts
Proton magnetic shielding constants are divided into different contributions using the IPPP technique (inner projections of the polarization propagator). Total magnetic shielding constants are calculated within the CHF-INDO-GIAO approach (coupled-Hartree-Fock-INDO-gauge-invariant atomic orbitals). I...
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| Autores principales: | Ferraro, M.B., De Kowalewski, D.G., Contreras, R.H., Ortiz, F.S. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_03010104_v118_n3_p325_Ferraro |
| Aporte de: |
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