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X.alpha.-SW calculations of the electronic structure and magnetic properties of exchange-coupled transition-metal clusters. 2. .mu.-Carbonato-bridged copper (II) dimers

โœ Scribed by Albonico, Carlo; Bencini, Alessandro


Book ID
127194674
Publisher
American Chemical Society
Year
1988
Tongue
English
Weight
862 KB
Volume
27
Category
Article
ISSN
0020-1669

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โœ Alessandro Bencini; Dante Gatteschi ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 418 KB

The X~U-SW-VB model has been applied to compute the singlet-triplet separation in the model complex [ (OH),Cu(p-0 )Cu( OH),] 6-whose geometric and bonding parameters were fixed at the values observed in the crystal strncture of YBaZCu#\_v. The calculations show that a strong antiferromagnetic inter

Exchange interaction in multinuclear tra