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DOI: 10.1039/A807973K (Paper) Reference Section for: Chem. Commun., 1998, 2767-2768

Theoretical search for new ferromagnetically coupled transition metal complexes

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Eliseo Ruiz and Santiago Alvarez

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.

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