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
AB initio hartree-fock and CI calculations on the bonding and stability of [H3CO]+ formed from [HCO]+ and H2
✍ Scribed by Ragnar Johansen; Edvin Wisløff Nilssen
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 416 KB
- Volume
- 49
- Category
- Article
- ISSN
- 0022-2860
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