Relativistic molecular calculations of superheavy molecules
| dc.date.accessioned | 2008-09-10T12:45:02Z | |
| dc.date.available | 2008-09-10T12:45:02Z | |
| dc.date.issued | 1979 | |
| dc.format.extent | 143288 bytes | |
| dc.format.mimetype | application/pdf | |
| dc.identifier.isbn | 2-902731-06-X | |
| dc.identifier.issn | 0449-1947 | |
| dc.identifier.uri | urn:nbn:de:hebis:34-2008091023676 | |
| dc.identifier.uri | http://hdl.handle.net/123456789/2008091023676 | |
| dc.language.iso | eng | |
| dc.rights | Urheberrechtlich geschützt | |
| dc.rights.uri | https://rightsstatements.org/page/InC/1.0/ | |
| dc.subject.ddc | 530 | |
| dc.title | Relativistic molecular calculations of superheavy molecules | eng |
| dc.type | Aufsatz | |
| dcterms.abstract | Relativistic molecular calculations within the Dirac-Slater scheme have been used in a study of the electronic structure of 6d-metal superheavy hexafluorides. The theoretical results are compared with calculations and measurements of the homolog 4d- and 5d-metal hexafluorides. Large spin-orbit splitting dominates the electronic structure and even has the same order of magnitude as the crystal-field splitting for the valence electrons for the superheavy molecules. Ionization energies have been calculated using a transition state procedure. | eng |
| dcterms.accessRights | open access | |
| dcterms.bibliographicCitation | In:3. International Conference on the Electronic Structure of the Actinides : Grenoble, Aug. 30-Sept. 1, 1978. - Paris : Les eds. de physique, 1979. - (Journal de physique : Colloque ; 1979,4). - S. 218 - 219 | |
| dcterms.creator | Rosén, Arne | |
| dcterms.creator | Fricke, Burkhard | |
| dcterms.creator | Morovi´c, Tihomir | |
| dcterms.creator | Ellis, Don E. |