Title of article
C20: fullerene, bowl or ring? New results from coupled-cluster calculations
Author/Authors
Taylor، نويسنده , , Peter R. and Bylaska، نويسنده , , Eric and Weare، نويسنده , , John H. and Kawai، نويسنده , , Ryoichi، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1995
Pages
6
From page
558
To page
563
Abstract
Contrary to recent experimental evidence suggesting that the monocyclic ring is the most stable 20-atom carbon species, highly accurate calculations convincingly predict that the smallest fullerene, dodecahedral C20, has the lowest energy. A related corannulene-like bowl is nearly degenerate in energy to the fullerene. Thermodynamic considerations suggest that at formation temperatures of around 700 K the bowl should be the dominant species.
Journal title
Chemical Physics Letters
Serial Year
1995
Journal title
Chemical Physics Letters
Record number
1773253
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