Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5382486 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
⺠DFT calculations indicate superhalogen behavior for Na(BH4)2 and Mg(BH4)3. ⺠The electron affinity of Mg[Mg(BH4)3]3 is 6.18 eV and this is a hyperhalogen. ⺠The significant HOMO-LUMO gaps indicate very stable moieties.
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Authors
C. Paduani, P. Jena,