Journal article

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
Persistent URL
https://folia.unifr.ch/unifr/documents/300112