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.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.format.extent	143288 bytes
dc.format.mimetype	application/pdf
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.