A polarization propagator analysis of the through-space transmission of non-contact terms of FF coupling constants
The IPPP method (inner projections of the polarization propagator) is extended to include the orbital and dipolar interactions of spin-spin coupling constants. As an example, calculations of the through-space components of FF couplings are carried out at the INDO level of approximation in fluorinate...
| Autores principales: | Natiello, M.A., Scuseria, G.E., Contreras, R.H. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00092614_v108_n6_p589_Natiello |
| Aporte de: |
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