Calculation of molecular magnetic properties in the isoelectronic series PH2-, PH3 and PH4+
Ab initio coupled Hartree-Fock perturbation theory has been used to evaluate magnetic susceptibility and magnetic shielding tensors of 31P and 1H nuclei in PH2-, PH3 and PH4+. Good agreement between theoretical and experimental data and a satisfactory degree of origin independence of computed values...
| Autores principales: | Caputo, María Cristina, Ferraro, Marta Beatriz, Bochicchio, Roberto Carlos |
|---|---|
| Publicado: |
1993
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v287_nC_p77_Caputo http://hdl.handle.net/20.500.12110/paper_01661280_v287_nC_p77_Caputo |
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