The IPPP method (inner projections of the polarization propagator) is extended to include the orbital and dipolar interactions of spin-spin coupling constants. As an example. calculations of the through-space components of F-F couplings are carried out at the INDO level of approximation in fluorinat
Polarization propagator analysis of the through space transmission of spin—spin coupling constants by overlap of lone pairs
✍ Scribed by C.G. Giribet; M.C.Ruiz de Azúa; R.H. Contreras; R.Lobayan de Bonczok; G.A. Aucar; S. Gómez
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 970 KB
- Volume
- 300
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Inner projections of the polarization propagator were used to study the indirect through-space transmission of the Fermi contact tern of C-F couplings via a C-X (X = F, H) intermediate bond. When X = 33 a large capability for trans- mitting this component is observed. But for X = F a notable inhibit
Nuclear spm-spm couphng CO~SSIIUI~S xc calculakd wth lhc self-consWent polanzation prop~!s~or appro\nn~lron method stmtmg from a scmr-cmpmcJl nonsmglct unstable ~'avcfunct~on. IXccts on o and n rnnsmllrcd componcnrs arc scparatcly analyscd. Results show tht tins approum~tlon IS an adcquatc fraw%orl