Exchange coupling and magnetic anisotropy in a family of bipyrimidyl radical-bridged dilanthanide complexes: Density functional theory and ab initio calculations
β Scribed by Zhang, Yi-Quan; Luo, Cheng-Lin; Zhang, Qiang
- Book ID
- 121707120
- Publisher
- John Wiley and Sons
- Year
- 2014
- Tongue
- English
- Weight
- 425 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0192-8651
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π SIMILAR VOLUMES
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
Quantum chemical ab initio calculations have been performed for the magnetic exchange coupling in three linear oxo-bridged heterobinuclear transition-metal Ε½ . Ε½ . complexes of the form L M III -O-M III L with M , M s Ti, V, Cr. In order to 5 1 2 5 1 2 simplify the calculations, the terminal ligands
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