Title of article
Energetics of fullerene isomer transformation
Author/Authors
Eggen، نويسنده , , Bernd R. and Latham، نويسنده , , Christopher D. and Heggie، نويسنده , , Malcolm I. and Jones، نويسنده , , Bob and Briddon، نويسنده , , Patrick R.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1996
Pages
4
From page
165
To page
168
Abstract
Stone-Wales transformations are thought to be the most likely route for fullerene isomer interconversion. Several prototype reactions are investigated using local density functional theory on C60Hm (m = 0, 1, 2) and C61 clusters. Transition state energies and geometries are calculated. Adding hydrogen or carbon atoms to C60 is found to catalyse the transformations.
Keywords
Fullerene , Isomer transformations
Journal title
Synthetic Metals
Serial Year
1996
Journal title
Synthetic Metals
Record number
2070085
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