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A quantum chemical ab initio study of the superexchange coupling in binuclear oxygen-bridged Ni(II) complexes

โœ Scribed by C. Wang; K. Fink; V. Staemmler


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
779 KB
Volume
192
Category
Article
ISSN
0301-0104

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Ab initio calculations of the magnetic e
โœ K. Fink; C. Wang; V. Staemmler ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 220 KB ๐Ÿ‘ 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