An SCF study of spin density in the CrF 3- 6 ion
Tools
Tools
Tools
Chandler, G.S. and Phillips, R. (1987) An SCF study of spin density in the CrF 3- 6 ion. Journal of the Chemical Society, Faraday Transactions, 83 (6). pp. 805-818.
![[img]](https://researchrepository.murdoch.edu.au/style/images/fileicons/application_pdf.png)
Preview |
Link to Published Version: http://dx.doi.org/10.1039/F29878300805
*Subscription may be required
*Subscription may be required
Abstract
SCF calculations on the free CrF3–6 ion are reported and the spin density distribution compared with the results of polarised neutron scattering experiments. The spin density is analysed in molecular-orbital terms. A set of thermally averaged structure factors is calculated directly from the molecular wavefunction and compared with a set of experimental structure factors.
| Item Type: | Journal Article |
|---|---|
| Publisher: | Royal Society of Chemistry |
| Copyright: | 1987 RSC |
| URI: | http://researchrepository.murdoch.edu.au/id/eprint/12266 |
 |
Item Control Page |
Downloads
Downloads per month over past year
