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Determination of the exchange integral in binuclear iron-sulfur clusters in proteins of varying complexity

✍ Scribed by J.C. Salerno; Tomoko Ohnishi; Haywood Blum; J.S. Leigh


Book ID
113125483
Publisher
Elsevier Science
Year
1977
Weight
396 KB
Volume
494
Category
Article
ISSN
0005-2795

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Ab initio calculations of the magnetic e
✍ K. Fink; C. Wang; V. Staemmler πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 220 KB πŸ‘ 2 views

The geometry dependence of the exchange integrals and the total energies of sulfur-bridged complexes of the types L NiSNiL , L NiS NiL , and 5 5 4 2 4 L NiS NiL is studied by quantum chemical ab initio methods. The linear monobridged 3 3 3 complex is antiferromagnetic, the bi-and triply-bridged com