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Ab Initio Study of the Exchange Coupling in Oxalato-Bridged Cu(II) Dinuclear Complexes

✍ Scribed by Cabrero, J.; Ben Amor, N.; de Graaf, C.; Illas, F.; Caballol, R.

Book ID
125931358
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
141 KB
Volume
104
Category
Article
ISSN
1089-5639

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Ab initio calculations of the magnetic exchange coupling in sulfur-bridged binuclear Ni(II) complexes
✍ 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