A comparison of ground- and excited-state properties of [Ru(bz)2]2+ and bis(h6-benzene)ruthenium(II)p-toluenesulfonate using density functional theory
ContributorsGilardoni, François; Weber, Jacques; Hauser, Andreas; Daul, Claude
Published inJournal of computational chemistry, vol. 20, no. 13, p. 1343-1353
Publication date1999
Abstract
Keywords
- Quantum chemical calculations
- Photophysical properties
- Multiplet structure
- Intermolecular interactions
- Jahn-Teller distortion
Affiliation entities
Research groups
Citation (ISO format)
GILARDONI, François et al. A comparison of ground- and excited-state properties of [Ru(bz)2]2+ and bis(h6-benzene)ruthenium(II)p-toluenesulfonate using density functional theory. In: Journal of computational chemistry, 1999, vol. 20, n° 13, p. 1343–1353. doi: 10.1002/(SICI)1096-987X(199910)20:13<1343::AID-JCC2>3.0.CO;2-U
Identifiers
- PID : unige:2741
- DOI : 10.1002/(SICI)1096-987X(199910)20:13<1343::AID-JCC2>3.0.CO;2-U
Additional URL for this publicationhttp://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63500754&PLACEBO=IE.pdf
Journal ISSN0192-8651