Accurate predictions of the EPR parameters in planar cobalt(II) complexes by hybrid density functional theory
- Zbiri, Mohamed Chemistry Department, University of Fribourg, Switzerland
-
02.06.2006
Published in:
- Inorganica Chimica Acta. - 2006, vol. 359, no. 12, p. 3865-3870
English
The hybrid density functional theory is applied to calculate the electron paramagnetic resonance parameters, i.e, the <strong>g</strong>- and <strong>A</strong>-tensors of some planar Cobalt(II) complexes with a <i>C</i><sub>2<i>v</i></sub> symmetry. Calculations were done for four systems: <i>Co</i>(<i>acacen</i>), <i>Co</i>(<i>tacacen</i>), <i>Co</i>(<i>seacacen</i>) and... Show more…
- Faculty
- Faculté des sciences
- Department
- Chimie
- Language
-
- English
- Classification
- Physics
- License
- License undefined
- Identifiers
-
- RERO DOC 5872
- DOI 10.1016/j.ica.2006.05.020
- Persistent URL
- https://folia.unifr.ch/unifr/documents/300112