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, Hebe Olga, Natiello, Mario Alberto, Contreras, Rubén Horacio |
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| Publicado: |
1985
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| Materias: | |
| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00405744_v68_n2_p171_Gavarini http://hdl.handle.net/20.500.12110/paper_00405744_v68_n2_p171_Gavarini |
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