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Ab initio calculations of the Ni K-edge XANES in NicMg1-cO solid solutions

โœ Scribed by A. Kuzmin; J. Purans; R. Kalendarev


Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
182 KB
Volume
2
Category
Article
ISSN
1862-6351

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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