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Toward Understanding the Electronic Structure of the Beryllium Monohydride Anion
1Department of Chemistry, Adam Mickiewicz University, 61-614 Poznań, Poland.
None:
The electronic structure and bonding of the beryllium monohydride anion, BeH-, have been studied using the full-configuration-interaction method. Changes in the electron density distribution upon formation of the Be-H chemical bond were analyzed, and results of the natural-bond-orbital, electron-localization function, and atoms-in-molecule analyzes were discussed. The results obtained for the BeH- anion were compared to those obtained for the parent BeH radical. It is shown that for both these species, the nature of the Be-H chemical bond is similar.
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