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Calculation of the electronic properties of metal dimers

โœ Scribed by S. L. Reindl; G. M. Pastor

Publisher
Springer
Year
1993
Tongue
English
Weight
414 KB
Volume
26
Category
Article
ISSN
1434-6060

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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