Title of article
What is the most stable B24N24 fullerene?
Author/Authors
Wu، نويسنده , , Hai-Shun and Jiao، نويسنده , , Haijun، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
4
From page
369
To page
372
Abstract
B3LYP/6-31G* density functional theory calculations have been carried out on the structure and stability of seven B24N24 clusters. It is found that the new proposed isomer with two octagons, sixteen hexagons and eight squares in S8 symmetry is more stable than the isomer with six octagons, eight hexagons and twelve squares in O symmetry by 60.4 kcal/mol, and the isomer with twenty hexagons and six squares in S4 symmetry by 2.8 kcal/mol. The fullerene-like isomer is much higher in energy (148.6 kcal/mol).
Journal title
Chemical Physics Letters
Serial Year
2004
Journal title
Chemical Physics Letters
Record number
1783414
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