Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts
-
- Roberto Di Remigio
- Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Tromsø– The Arctic University of Norway, Tromsø, Norway
-
- Michal Repisky
- Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Tromsø– The Arctic University of Norway, Tromsø, Norway
-
- Stanislav Komorovsky
- Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Tromsø– The Arctic University of Norway, Tromsø, Norway
-
- Peter Hrobarik
- Institut für Chemie, Technische Universität Berlin, Berlin, Germany
-
- Luca Frediani
- Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Tromsø– The Arctic University of Norway, Tromsø, Norway
-
- Kenneth Ruud
- Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Tromsø– The Arctic University of Norway, Tromsø, Norway
Journal
-
- Molecular Physics
-
Molecular Physics 115 (1-2), 214-227, 2016-10-18
Informa UK Limited
- Tweet
Details 詳細情報について
-
- CRID
- 1360580235446183936
-
- ISSN
- 13623028
- 00268976
-
- Data Source
-
- Crossref