Article ID Journal Published Year Pages File Type
5382486 Chemical Physics Letters 2013 5 Pages PDF
Abstract
► DFT calculations indicate superhalogen behavior for Na(BH4)2 and Mg(BH4)3. ► The electron affinity of Mg[Mg(BH4)3]3 is 6.18 eV and this is a hyperhalogen. ► The significant HOMO-LUMO gaps indicate very stable moieties.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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