Accurate predictions of the EPR parameters in planar cobalt(II) complexes by hybrid density functional theory
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Zbiri, Mohamed
Chemistry Department, University of Fribourg, Switzerland
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…
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Faculty
- Faculté des sciences
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Department
- Chimie
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Language
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Classification
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Physics
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License
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License undefined
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Identifiers
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Persistent URL
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https://folia.unifr.ch/unifr/documents/300112