Theoretical search for new ferromagnetically coupled transition metal complexes
- 1 January 1998
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- No. 24,p. 2767-2768
- https://doi.org/10.1039/a807973k
Abstract
Computational methods based on the density functional theory have been employed in the search for new ferromagnetic molecules and several compounds are predicted to exhibit stronger ferromagnetic coupling than the known hydroxo-bridged complexes, especially remarkable is the very strong coupling predicted for oxo-bridged Cu(II) or Ni(II) dimers.Keywords
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