Ab initio coupled Hartree-Fock perturbation theory (CHFPT) using large, flexible bases of gaugeless Gaussian orbitals is used to calculate the %i chemical shielding tensors, o,,, of SiH4, Si2H6, SiZH4 and Hr.Si0.'Si2H4 is deshielded with respect to SiH, by an average of 134 ppm and the range of prin
✦ LIBER ✦
Calculation of the effect of deprotonation on the Si NMR shielding for the series Si(OH)4to SiO44−
✍ Scribed by J. A. Tossell
- Book ID
- 104662465
- Publisher
- Springer-Verlag
- Year
- 1991
- Tongue
- English
- Weight
- 747 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0342-1791
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