Article ID Journal Published Year Pages File Type
5381401 Chemical Physics Letters 2013 5 Pages PDF
Abstract
The lowest-energy isomer of a boron-doped aluminum cluster of B2Al21- was calculated by the density functional theory, in which an aluminum cage encapsulates two boron atoms endohedrally.79
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Geometric, electronic, and optical properties of a boron-doped aluminum cluster of B2Al21-: A density functional theory study
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