The use of the SPPA method for the semi-empirical analysis of indirect spin couplings in Si-containing compounds
Couplings involving Si atoms in H2SiCH2 and H2SiSiH2 were analysed in order to investigate the influence of a CSi or SiSi double bond at the INDO level of approximation. It was found that the restricted Hartree-Fock ground-state wavefunction is close to a non-singlet instability. As a consequence th...
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| Autores principales: | Rgihini, R., Giribet, C.G., De Azua, M.C.R., Contreras, R.H. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v210_nC_p199_Rgihini |
| Aporte de: |
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