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ChemInform Abstract: Broken Symmetry Analysis of Spin Coupling in Iron-Sulfur Clusters. |
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| Authors: | L. NOODLEMAN D. A. CASE A. AIZMAN |
| Abstract: | On the basis of broken symmetry molecular orbital calculations, a method is developed to estimate antiferromagnetic coupling constants for polynuclear transition metal complexes containing three or more metal sites. |
| Keywords: | theory, structure dielectric properties, magnetic properties iron, Fe sulfur, S |