Ab initio calculations of the magnetic e
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K. Fink; C. Wang; V. Staemmler
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Article
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1997
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John Wiley and Sons
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English
โ 220 KB
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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