Aufsatz
Relativistic molecular calculations of superheavy molecules
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.
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.
Citation
@article{urn:nbn:de:hebis:34-2008091023676,
author={Rosén, Arne and Fricke, Burkhard and Morovi´c, Tihomir and Ellis, Don E.},
title={Relativistic molecular calculations of superheavy molecules},
year={1979}
}
0500 Oax 0501 Text $btxt$2rdacontent 0502 Computermedien $bc$2rdacarrier 1100 1979$n1979 1500 1/eng 2050 ##0##urn:nbn:de:hebis:34-2008091023676 3000 Rosén, Arne 3010 Fricke, Burkhard 3010 Morovi´c, Tihomir 3010 Ellis, Don E. 4000 Relativistic molecular calculations of superheavy molecules / Rosén, Arne 4030 4060 Online-Ressource 4085 ##0##=u http://nbn-resolving.de/urn:nbn:de:hebis:34-2008091023676=x R 4204 \$dAufsatz 4170 7136 ##0##urn:nbn:de:hebis:34-2008091023676
<resource xsi:schemaLocation="http://datacite.org/schema/kernel-2.2 http://schema.datacite.org/meta/kernel-2.2/metadata.xsd"> 2008-09-10T12:45:02Z 2008-09-10T12:45:02Z 1979 2-902731-06-X 0449-1947 urn:nbn:de:hebis:34-2008091023676 http://hdl.handle.net/123456789/2008091023676 143288 bytes application/pdf eng Urheberrechtlich geschützt https://rightsstatements.org/page/InC/1.0/ 530 Relativistic molecular calculations of superheavy molecules Aufsatz 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. open access 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 Rosén, Arne Fricke, Burkhard Morovi´c, Tihomir Ellis, Don E. </resource>
The following license files are associated with this item:
:Urheberrechtlich geschützt