A polarization propagator analysis of the geminal 31P-31P coupling in bis(difluorophosphino)amine{star operator}
Inner projections of the polarization propagator (IPPP) are used to decompose in through-space and through-bond contributions the two-bond P-P coupling in PF2-NH-PF2. This study is carried out using a ground state INDO wavefunction. Results for a phosphorus sp and spd atomic basis sets are compared....
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| Autores principales: | Gavarini, H.O., Natiello, M.A., Contreras, R.H. |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00405744_v68_n2_p171_Gavarini |
| Aporte de: |
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