๐”– Bobbio Scriptorium
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A transferable nonorthogonal tight-binding model of germanium: application to small clusters

โœ Scribed by Jijun Zhao; Jinlan Wang; Guanghou Wang


Book ID
108442771
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
123 KB
Volume
275
Category
Article
ISSN
0375-9601

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Pd2N2 as a model for the binding of the
โœ Margareta R.A. Blomberg; Per E.M. Siegbahn ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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