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Modeling of synthesis and dissociation of the N4nitrogen cluster of D2Hsymmetry

✍ Scribed by V. F. Elesin; N. N. Degtyarenko; K. S. Pazhitnykh; N. V. Matveev

Book ID
106525015
Publisher
Springer
Year
2009
Tongue
English
Weight
506 KB
Volume
52
Category
Article
ISSN
1573-9228

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Pd2N2 as a model for the binding of the
Pd2N2 as a model for the binding of the nitrogen molecule to small palladium clusters
✍ 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