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Random assembly of antiferromagnetic clusters as a model for CrAl

✍ Scribed by P. Clippe; M. Ausloos


Publisher
Elsevier Science
Year
1981
Weight
130 KB
Volume
107
Category
Article
ISSN
0378-4363

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Pd2N2 as a model for the binding of the
✍ Margareta R.A. Blomberg; Per E.M. Siegbahn πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 611 KB

Calculations including electron correlation have been performed for the PdlN2 molecule. Geometry optimizations of different structures of this system were performed to find out if N1 is molecularly or dissociatively bound to Pd2. Two structures were found to be almost equally stable with calculated